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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 = 'BDBM50046258'   
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)
BDBM50046258
PNG
(3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)
UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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