BDBM50051794 (2S,5R)-1-{2-[(S)-3-(4-Amino-phenyl)-2-mercapto-propionylamino]-acetyl}-5-phenyl-pyrrolidine-2-carboxylic acid::CHEMBL89840

SMILES: Nc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=SYTRFHCIZVUCAW-QYZOEREBSA-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 = 50051794   

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))	BDBM50051794 ((2S,5R)-1-{2-[(S)-3-(4-Amino-phenyl)-2-mercapto-pr...) Show SMILES Nc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H25N3O4S/c23-16-8-6-14(7-9-16)12-19(30)21(27)24-13-20(26)25-17(10-11-18(25)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,30H,10-13,23H2,(H,24,27)(H,28,29)/t17-,18+,19+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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)	BDBM50051794 ((2S,5R)-1-{2-[(S)-3-(4-Amino-phenyl)-2-mercapto-pr...) Show SMILES Nc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H25N3O4S/c23-16-8-6-14(7-9-16)12-19(30)21(27)24-13-20(26)25-17(10-11-18(25)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,30H,10-13,23H2,(H,24,27)(H,28,29)/t17-,18+,19+/m1/s1	KEGG 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 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