Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM156246'   

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 (Homo sapiens (Human))	BDBM156246 (US9018391, 8) Show SMILES CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@H](C)[C@H]1O |r,t:15| Show InChI InChI=1S/C25H32N4O4/c1-3-17-10-24(9-15(2)21(17)30)11-18-5-4-16(12-26)8-20(18)25(24)22(31)29(23(27)28-25)13-19-14-32-6-7-33-19/h4-5,8,15,17,19,21,30H,3,6-7,9-11,13-14H2,1-2H3,(H2,27,28)/t15-,17+,19?,21+,24+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	4.4	n/a
Boehringer Ingelheim International GmbH; Vitae Pharmaceuticals, 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 US9018391 (2015) BindingDB Entry DOI: 10.7270/Q2QN65HR
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