Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM150697'   

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))	BDBM150697 (US8981112, 4 | US9526727, 4) Show SMILES CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)CC[C@H]1OC |r,t:15| Show InChI InChI=1S/C26H33FN4O3/c1-3-18-13-24(7-6-21(18)33-2)14-19-5-4-17(15-28)12-20(19)26(24)22(32)31(23(29)30-26)16-25(27)8-10-34-11-9-25/h4-5,12,18,21H,3,6-11,13-14,16H2,1-2H3,(H2,29,30)/t18-,21-,24-,26-/m1/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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