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BDBM50051799 (2S,5R)-1-{2-[(S)-2-Mercapto-3-(4-methoxy-phenyl)-propionylamino]-acetyl}-5-(2-methoxy-phenyl)-pyrrolidine-2-carboxylic acid::CHEMBL313764

SMILES: COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2OC)C(O)=O)cc1

InChI Key: InChIKey=RNXQKWJGTTWJCQ-DYXWJJEUSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50051799   
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))
BDBM50051799
PNG
((2S,5R)-1-{2-[(S)-2-Mercapto-3-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2OC)C(O)=O)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-16-9-7-15(8-10-16)13-21(33)23(28)25-14-22(27)26-18(11-12-19(26)24(29)30)17-5-3-4-6-20(17)32-2/h3-10,18-19,21,33H,11-14H2,1-2H3,(H,25,28)(H,29,30)/t18-,19+,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of Paris

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)
BDBM50051799
PNG
((2S,5R)-1-{2-[(S)-2-Mercapto-3-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2OC)C(O)=O)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-16-9-7-15(8-10-16)13-21(33)23(28)25-14-22(27)26-18(11-12-19(26)24(29)30)17-5-3-4-6-20(17)32-2/h3-10,18-19,21,33H,11-14H2,1-2H3,(H,25,28)(H,29,30)/t18-,19+,21+/m1/s1
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



University of Paris

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