Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98550'   

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))	BDBM98550 (US8492387, 45) Show SMILES COc1ccc(cc1)C(Cc1cccc(c1)-c1ccc(cc1Cl)C(F)(F)F)c1cn(C)c(N)n1 Show InChI InChI=1S/C26H23ClF3N3O/c1-33-15-24(32-25(33)31)22(17-6-9-20(34-2)10-7-17)13-16-4-3-5-18(12-16)21-11-8-19(14-23(21)27)26(28,29)30/h3-12,14-15,22H,13H2,1-2H3,(H2,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+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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