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BDBM50287694 3-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-propionic acid methyl ester::CHEMBL63123

SMILES: COC(=O)CCNC(=O)C1(CS)CCc2ccccc2C1

InChI Key: InChIKey=GRKIASCSNPRXRF-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287694   
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50287694
PNG
(3-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES COC(=O)CCNC(=O)C1(CS)CCc2ccccc2C1
Show InChI InChI=1S/C16H21NO3S/c1-20-14(18)7-9-17-15(19)16(11-21)8-6-12-4-2-3-5-13(12)10-16/h2-5,21H,6-11H2,1H3,(H,17,19)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair