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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50373808'   
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 1


(Homo sapiens (Human))		BDBM50373808
PNG
(CHEMBL403533)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1
Show InChI InChI=1S/C32H46N4O4/c1-3-40-28-20-25(19-27(21-28)36-16-10-11-17-36)32(39)35-29(18-24-12-6-4-7-13-24)30(37)22-33-23(2)31(38)34-26-14-8-5-9-15-26/h4,6-7,12-13,19-21,23,26,29-30,33,37H,3,5,8-11,14-18,22H2,1-2H3,(H,34,38)(H,35,39)/t23-,29-,30+/m0/s1
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1

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