Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50372267'   

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))	BDBM50372267 (CHEMBL428075) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)N[C@H]1CC[C@H](O)CC1 |wU:29.31,wD:32.35,(11.88,2.57,;11.9,1.03,;13.24,.28,;13.26,-1.26,;14.71,-1.78,;15.86,-.75,;17.32,-1.22,;17.63,-2.73,;16.5,-3.76,;15.04,-3.29,;19.1,-3.21,;19.58,-4.67,;21.12,-4.67,;21.59,-3.21,;23.06,-2.73,;23.37,-1.23,;24.83,-.75,;25.98,-1.78,;25.66,-3.29,;24.2,-3.76,;23.88,-5.27,;20.35,-2.3,;20.35,-.76,;21.68,.01,;23.01,-.76,;21.68,1.55,;23.01,2.32,;23.01,3.86,;24.35,1.55,;25.68,2.32,;25.67,3.85,;27.02,4.62,;28.35,3.85,;29.69,4.61,;28.34,2.3,;27.01,1.54,)| Show InChI InChI=1S/C28H33ClN4O3/c1-2-17-36-22-13-7-19(8-14-22)25-15-16-26(23-5-3-4-6-24(23)29)33(25)18-27(35)32-28(30)31-20-9-11-21(34)12-10-20/h3-8,13-16,20-21,34H,2,9-12,17-18H2,1H3,(H3,30,31,32,35)/t20-,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 767-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.043 BindingDB Entry DOI: 10.7270/Q27S7PK8
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