Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM231561'   

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))	BDBM231561 (US9346827, 4) Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3C3(COCCC(N)=N3)c2c1)-c1cccnc1F |c:25| Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	4.2	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9346827 (2016) BindingDB Entry DOI: 10.7270/Q2RN36Q1
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