Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-458]' and Ligand = 'BDBM195045'   

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 [1-458] (Homo sapiens (Human))	BDBM195045 (US9212153, 100,Ex. 66) Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)-c1cccc(c1)[N+]#[C-] |c:4,(12.41,-5.87,;11.78,-7.27,;12.55,-8.61,;11.52,-9.75,;10.11,-9.13,;10.28,-7.59,;9.13,-6.56,;10.49,-10.9,;8.95,-10.9,;8.18,-12.23,;8.95,-13.56,;10.49,-13.56,;11.26,-12.23,;12.77,-11.91,;12.93,-10.38,;14.41,-9.95,;15.9,-10.38,;16.67,-9.04,;15.19,-9.47,;13.7,-9.04,;18,-9.81,;19.34,-9.04,;20.67,-9.81,;19.34,-7.5,;6.64,-12.23,;5.87,-13.56,;4.33,-13.56,;3.56,-12.23,;4.48,-11.15,;5.87,-10.9,;3.8,-9.99,;3.13,-8.82,)| Show InChI InChI=1S/C24H24F2N4O2/c1-28-18-5-3-4-15(12-18)16-6-7-17-14-23(10-8-19(9-11-23)31-21(25)26)24(20(17)13-16)29-22(27)30(2)32-24/h3-7,12-13,19,21H,8-11,14H2,2H3,(H2,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...				US Patent US9212153 (2015) BindingDB Entry DOI: 10.7270/Q2J67FRJ
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