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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutral Endopeptidase (NEP)' and Ligand = 'BDBM50048312'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50048312
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-12(2)16(28)17(24)22-20(9-3-4-10-20)19(27)21-15(18(25)26)11-13-5-7-14(23)8-6-13/h5-8,12,15-16,23,28H,3-4,9-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.5n/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