Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50231491'   

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))	BDBM50231491 (4-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C26H22BrN5O2/c27-20-10-6-19(7-11-20)25(34)30-21-12-8-18(9-13-21)23-15-14-22(17-4-2-1-3-5-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 18: 1063-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.010 BindingDB Entry DOI: 10.7270/Q22807CT
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