Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM130218'   

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))	BDBM130218 (US8815881, 154) Show SMILES COc1cc(Cl)c(C)cc1Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)C(=O)C1(C)C |t:22| Show InChI InChI=1S/C22H26ClFN4O2/c1-12-9-17(18(30-6)11-15(12)23)26-13-7-8-16(24)14(10-13)22(4)21(2,3)19(29)28(5)20(25)27-22/h7-11,26H,1-6H3,(H2,25,27)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	4
Hoffmann-La Roche Inc.; Siena Biotech S.p.A. US Patent					Assay Description BACE2 enzyme ectodomain (derived from plasmid pET17b-T7-hu proBACE2) was prepared as described in Ostermann et al., Crystal Structure of Human BACE2 ...				US Patent US8815881 (2014) BindingDB Entry DOI: 10.7270/Q2NZ86B5
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