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BDBM50039531 (S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-3-(4-methyl-benzylsulfanyl)-propionic acid::CHEMBL310199

SMILES: Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=QOOAWHXXULEAFC-RBUKOAKNSA-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 = 50039531   
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))
BDBM50039531
PNG
((S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO3S2/c1-15-7-9-17(10-8-15)13-27-14-19(21(24)25)22-20(23)18(12-26)11-16-5-3-2-4-6-16/h2-10,18-19,26H,11-14H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039531
PNG
((S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO3S2/c1-15-7-9-17(10-8-15)13-27-14-19(21(24)25)22-20(23)18(12-26)11-16-5-3-2-4-6-16/h2-10,18-19,26H,11-14H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair