Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM244049'   

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))	BDBM244049 (US9428476, 3a) Show SMILES CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)COC)ccc1F |r| Show InChI InChI=1S/C15H24FN5O3S/c1-15(9-25(23,18-2)21(3)14(17)20-15)11-7-10(5-6-12(11)16)19-13(22)8-24-4/h5-7,18,23H,8-9H2,1-4H3,(H2,17,20)(H,19,22)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	-44.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
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