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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50382518'   
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


(Homo sapiens (Human))		BDBM50382518
PNG
(CHEMBL2024271)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C29H48N12O8/c30-18(10-11-22(31)43)24(45)39-19(8-4-12-36-28(32)33)26(47)41(14-17-6-2-1-3-7-17)15-23(44)38-21(16-42)25(46)40-20(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,18-21,42H,4-5,8-16,30H2,(H2,31,43)(H,38,44)(H,39,45)(H,40,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t18-,19-,20-,21-/m0/s1
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Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...

J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair