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BDBM50051805 (2S,5R)-1-[2-((R)-2-Mercapto-3-phenyl-propionylamino)-acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid::CHEMBL87005

SMILES: OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@H](S)Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=ZWDQTNWLXALTOV-CEXWTWQISA-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 = 50051805   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051805
PNG
((2S,5R)-1-[2-((R)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@H](S)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/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)
BDBM50051805
PNG
((2S,5R)-1-[2-((R)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@H](S)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19-/m1/s1
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/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