Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM209914'   

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))	BDBM209914 (US9273042, 2) Show SMILES C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8| Show InChI InChI=1S/C18H16FN5O3S/c1-18(10-28(26,27)9-16(21)24-18)13-6-12(3-4-14(13)19)23-17(25)15-5-2-11(7-20)8-22-15/h2-6,8H,9-10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00820	n/a	n/a	n/a	n/a	n/a	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...				US Patent US9273042 (2016) BindingDB Entry DOI: 10.7270/Q22Z14CV
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