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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50373805'   
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
Beta-secretase 2


(Homo sapiens (Human))		BDBM50373805
PNG
(CHEMBL255964)
Show SMILES CC(C)CNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C34H49N5O4/c1-23(2)21-36-28-18-26(19-29(20-28)39-16-10-15-32(39)41)34(43)38-30(17-25-11-6-4-7-12-25)31(40)22-35-24(3)33(42)37-27-13-8-5-9-14-27/h4,6-7,11-12,18-20,23-24,27,30-31,35-36,40H,5,8-10,13-17,21-22H2,1-3H3,(H,37,42)(H,38,43)/t24-,30-,31+/m0/s1
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n/an/a 650n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2

Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair