Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50301214'   

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))	BDBM50301214 (4-(1-(4-methoxyphenyl)-2-(4-(trifluoromethyl)pheny...) Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1cn(C)c(N)n1 Show InChI InChI=1S/C20H20F3N3O/c1-26-12-18(25-19(26)24)17(14-5-9-16(27-2)10-6-14)11-13-3-7-15(8-4-13)20(21,22)23/h3-10,12,17H,11H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE-1				Bioorg Med Chem Lett 19: 4993-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.071 BindingDB Entry DOI: 10.7270/Q2Z31ZP8
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