Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM291129'   

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))	BDBM291129 (US9580396, Example 2u) Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C19H19F2N5O5S/c1-26-18(22)25-19(10-32(26,28)29)6-7-30-15-5-2-11(8-13(15)19)24-16(27)14-4-3-12(9-23-14)31-17(20)21/h2-5,8-9,17H,6-7,10H2,1H3,(H2,22,25)(H,24,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	n/a	n/a	n/a	n/a	n/a	n/a	5.0	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 US9580396 (2017) BindingDB Entry DOI: 10.7270/Q29K4D9S
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