Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50105797'   

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))	BDBM50105797 (CHEMBL3597550) Show SMILES CCOC(=O)C1(CCN(CCCCCOc2ccc3C\C(=C/c4ccc(CN(C)Cc5ccccc5)cc4)C(=O)c3c2)CC1)c1ccccc1 Show InChI InChI=1S/C44H50N2O4/c1-3-49-43(48)44(39-15-9-5-10-16-39)23-26-46(27-24-44)25-11-6-12-28-50-40-22-21-37-30-38(42(47)41(37)31-40)29-34-17-19-36(20-18-34)33-45(2)32-35-13-7-4-8-14-35/h4-5,7-10,13-22,29,31H,3,6,11-12,23-28,30,32-33H2,1-2H3/b38-29+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.23E+3	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 using M-2420 as substrate preincubated with enzyme for 1 hr by FRET assay				Bioorg Med Chem Lett 25: 2804-8 (2015) Article DOI: 10.1016/j.bmcl.2015.05.002 BindingDB Entry DOI: 10.7270/Q2TB18P5
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