Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM123870'   

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))	BDBM123870 (US8748418, 15) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)cnc34)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C21H22ClF3N4O2/c1-19(2)21(24,25)20(3,29-17(26)10-31-19)13-7-12(4-5-14(13)23)28-15-9-30-16-6-11(22)8-27-18(15)16/h4-8,15,28H,9-10H2,1-3H3,(H2,26,29)/t15?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	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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