Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM123881'   

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))	BDBM123881 (US8748418, 26) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(c3)C(F)(F)F)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C20H20F6N4O/c1-17(2)20(25,26)18(3,30-16(27)10-31-17)14-7-12(4-5-15(14)21)29-13-6-11(8-28-9-13)19(22,23)24/h4-9,29H,10H2,1-3H3,(H2,27,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
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