Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM228466'   

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))	BDBM228466 (US9556135, 117) Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F |r,c:12| Show InChI InChI=1S/C23H21FN6O2S/c1-22(13-33(31,32)23(7-3-8-23)21(25)30-22)17-11-15(4-5-18(17)24)29-20-19-14(6-9-27-20)10-16(26-2)12-28-19/h4-6,9-12H,3,7-8,13H2,1H3,(H2,25,30)(H,27,29)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
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