Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM150701'   

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 1 [1-454] (Homo sapiens (Human))	BDBM150701 (US8981112, 8 | US9526727, 8 | US9949975, Example 8) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@@H]1C |r,t:16| Show InChI InChI=1S/C24H30N4O3/c1-15-9-23(7-6-19(15)30-3)10-17-5-4-16(11-25)8-18(17)24(23)20(29)28(21(26)27-24)12-22(2)13-31-14-22/h4-5,8,15,19H,6-7,9-10,12-14H2,1-3H3,(H2,26,27)/t15-,19-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceutical, Inc. US Patent					Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...				US Patent US9526727 (2016) BindingDB Entry DOI: 10.7270/Q2K936GW
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