Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50356520'   

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))	BDBM50356520 (CHEMBL1909700) Show SMILES OC(CN(C1CCCCC1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H30N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1,3-4,7-12,15-18,22-23,31H,2,5-6,13-14,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of BACE1 by fluorescence-based assay				Bioorg Med Chem Lett 21: 6657-61 (2011) Article DOI: 10.1016/j.bmcl.2011.09.064 BindingDB Entry DOI: 10.7270/Q2ST7Q7H
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