BDBM50051780 (2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydroxy-phenyl)-2-mercapto-propionylamino]-acetyl}-pyrrolidine-2-carboxylic acid::CHEMBL313627

SMILES: OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1O

InChI Key: InChIKey=CUXNTHDWTOIIMW-AOIWGVFYSA-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 = 50051780   

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))	BDBM50051780 ((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1O Show InChI InChI=1S/C22H24N2O6S/c25-14-7-5-13(6-8-14)11-19(31)21(28)23-12-20(27)24-16(9-10-17(24)22(29)30)15-3-1-2-4-18(15)26/h1-8,16-17,19,25-26,31H,9-12H2,(H,23,28)(H,29,30)/t16-,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of neutral endopeptidase				J Med Chem 39: 2594-608 (1996) Article DOI: 10.1021/jm950783c BindingDB Entry DOI: 10.7270/Q25B0353
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50051780 ((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1O Show InChI InChI=1S/C22H24N2O6S/c25-14-7-5-13(6-8-14)11-19(31)21(28)23-12-20(27)24-16(9-10-17(24)22(29)30)15-3-1-2-4-18(15)26/h1-8,16-17,19,25-26,31H,9-12H2,(H,23,28)(H,29,30)/t16-,17+,19+/m1/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of rat angiotensin I converting enzyme				J Med Chem 39: 2594-608 (1996) Article DOI: 10.1021/jm950783c BindingDB Entry DOI: 10.7270/Q25B0353
					More data for this Ligand-Target Pair