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BDBM50002018 2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4-methyl-pentanoic acid::CHEMBL442337

SMILES: CC(C)C[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O

InChI Key: InChIKey=PISCFNDSARITBO-ARLHGKGLSA-N

Data: 1 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 1 hit for monomerid = 50002018   
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


(Homo sapiens (Human))
BDBM50002018
PNG
(2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4-met...)
Show SMILES CC(C)C[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


J Med Chem 35: 1259-66 (1992)


Article DOI: 10.1021/jm00085a013
BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair