Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM242248'   

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))	BDBM242248 (US9416129, 26) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1ncc(s1)-c1cccc(c1)-c1ncco1 |r| Show InChI InChI=1S/C17H17N5O3S2/c1-17(10-27(23,24)22(2)16(18)21-17)15-20-9-13(26-15)11-4-3-5-12(8-11)14-19-6-7-25-14/h3-9H,10H2,1-2H3,(H2,18,21)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	-47.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9416129 (2016) BindingDB Entry DOI: 10.7270/Q2HM57C6
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