Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM291154'   

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))	BDBM291154 (US9580396, Example 5q) Show SMILES CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C21H22N6O3S/c1-13-8-14(10-22)11-24-18(13)19(28)25-16-6-5-15-4-3-7-21(17(15)9-16)12-31(29,30)27(2)20(23)26-21/h5-6,8-9,11H,3-4,7,12H2,1-2H3,(H2,23,26)(H,25,28)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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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