Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50328042'   

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))	BDBM50328042 (CHEMBL1258687 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)no1 |r| Show InChI InChI=1S/C26H37F2N3O3/c1-17(32)30-22(12-18-10-19(27)13-20(28)11-18)23(33)16-29-26(8-6-5-7-9-26)24-14-21(31-34-24)15-25(2,3)4/h10-11,13-14,22-23,29,33H,5-9,12,15-16H2,1-4H3,(H,30,32)/t22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 20: 6034-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.070 BindingDB Entry DOI: 10.7270/Q2XK8FSK
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