Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50145900'   

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))	BDBM50145900 (CHEMBL3765050) Show SMILES O\C(\C=C\c1ccc(OCc2cc(F)cc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cc(F)cc(F)c2)cc1 Show InChI InChI=1S/C33H24F4O4/c34-26-13-24(14-27(35)17-26)20-40-32-9-3-22(4-10-32)1-7-30(38)19-31(39)8-2-23-5-11-33(12-6-23)41-21-25-15-28(36)18-29(37)16-25/h1-19,38H,20-21H2/b7-1+,8-2+,30-19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum - University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...				J Med Chem 59: 531-44 (2016) Article DOI: 10.1021/acs.jmedchem.5b00894 BindingDB Entry DOI: 10.7270/Q27P9183
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