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BDBM50287702 (S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-propionic acid benzyl ester::CHEMBL294536

SMILES: C[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)OCc1ccccc1

InChI Key: InChIKey=KTCQIEYOEJIFPS-CISYCMJJSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287702   
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))
BDBM50287702
PNG
((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...)
Show SMILES C[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO3S/c1-16(20(24)26-14-17-7-3-2-4-8-17)23-21(25)22(15-27)12-11-18-9-5-6-10-19(18)13-22/h2-10,16,27H,11-15H2,1H3,(H,23,25)/t16-,22?/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
0.300n/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