Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98549'   

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))	BDBM98549 (US8492387, 18) Show SMILES COc1ccc(cc1)C(Cc1cccc(Br)c1)c1cn(C)c(N)n1 Show InChI InChI=1S/C19H20BrN3O/c1-23-12-18(22-19(23)21)17(11-13-4-3-5-15(20)10-13)14-6-8-16(24-2)9-7-14/h3-10,12,17H,11H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	900	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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