Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM291110'   

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 2 (Homo sapiens (Human))	BDBM291110 (US9580396, Example 2b) Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4coc(C)n4)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C17H19N5O5S/c1-10-19-13(8-27-10)15(23)20-11-3-4-14-12(7-11)17(5-6-26-14)9-28(24,25)22(2)16(18)21-17/h3-4,7-8H,5-6,9H2,1-2H3,(H2,18,21)(H,20,23)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9580396 (2017) BindingDB Entry DOI: 10.7270/Q29K4D9S
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