Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98551'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM98551 (US8492387, 52) Show SMILES COc1ccc(cc1)C1(CCCCC1)c1cn(C)c(N)n1 Show InChI InChI=1S/C17H23N3O/c1-20-12-15(19-16(20)18)17(10-4-3-5-11-17)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	6.5	n/a
Merck, Sharp & Dohme, Corp. US Patent					Assay Description End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.				US Patent US8492387 (2013) BindingDB Entry DOI: 10.7270/Q2DB80FN
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