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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50382923'   
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))		BDBM50382923
PNG
(CHEMBL2029396)
Show SMILES [#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C28H46N12O8/c29-16(13-21(30)42)22(43)37-17(8-4-10-35-27(31)32)23(44)39-19(12-15-6-2-1-3-7-15)24(45)40-20(14-41)25(46)38-18(26(47)48)9-5-11-36-28(33)34/h1-3,6-7,16-20,41H,4-5,8-14,29H2,(H2,30,42)(H,37,43)(H,38,46)(H,39,44)(H,40,45)(H,47,48)(H4,31,32,35)(H4,33,34,36)/t16-,17-,18-,19-,20-/m0/s1
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Similars
Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant neprilysin using Abz-dR-G-L-EDDnp as substrate incubated for 10 mins prior to substrate addition measured for 40 mins...

ACS Med Chem Lett 3: 20-24 (2012)


Article DOI: 10.1021/ml200182v
BindingDB Entry DOI: 10.7270/Q2P84CZ6
More data for this
Ligand-Target Pair