Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50145903'   

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))	BDBM50145903 (CHEMBL3763728) Show SMILES O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-23,34H,24-25H2/b17-11+,18-12+,30-23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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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