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BDBM50048318 (S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-4-phenyl-butyric acid::CHEMBL358592

SMILES: CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)=O

InChI Key: InChIKey=PCDCZPAQESZGLI-IRXDYDNUSA-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 = 50048318   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50048318
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-14(2)17(28)18(24)23-21(12-6-7-13-21)20(27)22-16(19(25)26)11-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17,28H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t16-,17-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048318
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H30N2O4S/c1-14(2)17(28)18(24)23-21(12-6-7-13-21)20(27)22-16(19(25)26)11-10-15-8-4-3-5-9-15/h3-5,8-9,14,16-17,28H,6-7,10-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20n/an/an/an/an/an/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