Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM150696'   

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))	BDBM150696 (US8981112, 3 | US9526727, 3 | US9949975, Example 3) Show SMILES CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1OC |r,t:15| Show InChI InChI=1S/C24H31FN4O2/c1-5-16-11-23(9-8-19(16)31-4)12-17-7-6-15(13-26)10-18(17)24(23)20(30)29(21(27)28-24)14-22(2,3)25/h6-7,10,16,19H,5,8-9,11-12,14H2,1-4H3,(H2,27,28)/t16-,19-,23-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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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