Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98553'   

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))	BDBM98553 (US8492387, 122) Show SMILES COc1ccc2c(CCC2(Cc2cc(ccc2OC)[N+]([O-])=O)c2cn(C)c(N)n2)c1 Show InChI InChI=1S/C22H24N4O4/c1-25-13-20(24-21(25)23)22(9-8-14-11-17(29-2)5-6-18(14)22)12-15-10-16(26(27)28)4-7-19(15)30-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20E+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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