Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM352266'   

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))	BDBM352266 (US9802928, 1v) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C19H19FN6O3S2/c1-18(19(5-6-19)31(28,29)25(2)16(21)24-18)12-9-11(3-4-13(12)20)22-15(27)14-10-26-7-8-30-17(26)23-14/h3-4,7-10H,5-6H2,1-2H3,(H2,21,24)(H,22,27)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	232	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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