Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98557'   

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))	BDBM98557 (US8492387, 2) Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1[nH]c(N)nc1C(O)c1ccccc1 Show InChI InChI=1S/C26H24F3N3O2/c1-34-20-13-9-17(10-14-20)21(15-16-7-11-19(12-8-16)26(27,28)29)22-23(32-25(30)31-22)24(33)18-5-3-2-4-6-18/h2-14,21,24,33H,15H2,1H3,(H3,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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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