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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 = 'BDBM50196585'   
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))		BDBM50196585
PNG
(CHEMBL252754 | N-((2S,3R)-4-(3-methoxybenzylamino)...)
Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1
Show InChI InChI=1S/C27H40N2O5S/c1-21(2)14-16-35(32,33)15-8-13-27(31)29-25(18-22-9-5-4-6-10-22)26(30)20-28-19-23-11-7-12-24(17-23)34-3/h4-7,9-12,17,21,25-26,28,30H,8,13-16,18-20H2,1-3H3,(H,29,31)/t25-,26+/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>2.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE

Bioorg Med Chem Lett 17: 73-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P
More data for this
Ligand-Target Pair