Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98554'   

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))	BDBM98554 (US8492387, 114) Show SMILES COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(Cc3ccccc3)c(N)n2)c1 Show InChI InChI=1S/C27H25F3N4O/c1-35-21-8-9-22-20(13-21)11-12-26(22,14-19-7-10-23(32-15-19)27(28,29)30)24-17-34(25(31)33-24)16-18-5-3-2-4-6-18/h2-10,13,15,17H,11-12,14,16H2,1H3,(H2,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	63	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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