Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50371471'   

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))	BDBM50371471 (CHEMBL407904) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)ccc2oc1=O Show InChI InChI=1S/C36H32Cl2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-22-29-21-30(14-16-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-15-32(37)33(38)20-25/h3-17,20-22H,2,18-19,23-24H2,1H3,(H,39,41)/b17-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by spectrofluorimetric method				Bioorg Med Chem Lett 18: 423-6 (2008) Article DOI: 10.1016/j.bmcl.2007.09.100 BindingDB Entry DOI: 10.7270/Q2FN171X
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