Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM98556'   

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))	BDBM98556 (US8492387, 3) Show SMILES Cn1cc(nc1N)C1(Cc2ccccc2)CCc2ccccc12 Show InChI InChI=1S/C20H21N3/c1-23-14-18(22-19(23)21)20(13-15-7-3-2-4-8-15)12-11-16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+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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