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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin [1-24]' and Ligand = 'BDBM50298107'   
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
Neprilysin [1-24]


(Sus scrofa)
BDBM50298107
PNG
(3-(4-Hydroxy-phenyl)-2-(4,4,4-trifluoro-3-mercapto...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(S)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO4S/c14-13(15,16)10(22)6-11(19)17-9(12(20)21)5-7-1-3-8(18)4-2-7/h1-4,9-10,18,22H,5-6H2,(H,17,19)(H,20,21)
UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of pig kidney NEP by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair