Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM352264'   

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))	BDBM352264 (US9802928, 1t) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCCF)cn3)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C20H22F2N6O4S/c1-19(20(5-6-20)33(30,31)28(2)18(23)27-19)13-9-12(3-4-14(13)22)26-17(29)15-10-25-16(11-24-15)32-8-7-21/h3-4,9-11H,5-8H2,1-2H3,(H2,23,27)(H,26,29)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9802928 (2017) BindingDB Entry DOI: 10.7270/Q21Z46K6
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