Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM123866'   

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 2 (Homo sapiens (Human))	BDBM123866 (US8748418, 10) Show SMILES C[C@@]1(N=C(N)COCC1(F)F)c1cc(Nc2ccc(cc2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H17F3N4O/c1-18(19(21,22)11-27-10-17(24)26-18)15-8-14(6-7-16(15)20)25-13-4-2-12(9-23)3-5-13/h2-8,25H,10-11H2,1H3,(H2,24,26)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	910	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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