Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM244048'   

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))	BDBM244048 (US9428476, 2b) Show SMILES CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C19H25FN6O3S/c1-19(11-30(28,22-2)26(3)18(21)25-19)14-9-12(5-7-15(14)20)24-17(27)16-8-6-13(29-4)10-23-16/h5-10,22,28H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9428476 (2016) BindingDB Entry DOI: 10.7270/Q2WQ02Q5
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