Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50372257'   

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))	BDBM50372257 (CHEMBL271914) Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)N[C@H]1CC[C@@H](CC1)C(O)=O |wU:29.31,wD:32.38,(-10.39,1.86,;-10.37,.32,;-9.03,-.43,;-9.01,-1.97,;-7.56,-2.49,;-6.41,-1.46,;-4.95,-1.93,;-4.64,-3.44,;-5.77,-4.47,;-7.23,-4,;-3.17,-3.92,;-2.69,-5.38,;-1.15,-5.38,;-.68,-3.92,;.79,-3.44,;1.1,-1.94,;2.56,-1.46,;3.71,-2.49,;3.39,-4,;1.93,-4.47,;1.61,-5.98,;-1.92,-3.01,;-1.93,-1.47,;-.59,-.7,;.74,-1.47,;-.59,.84,;.74,1.61,;.74,3.15,;2.08,.84,;3.41,1.61,;3.4,3.14,;4.74,3.91,;6.08,3.13,;6.07,1.59,;4.74,.83,;7.41,3.9,;8.75,3.12,;7.42,5.44,)| Show InChI InChI=1S/C29H33ClN4O4/c1-2-17-38-22-13-9-19(10-14-22)25-15-16-26(23-5-3-4-6-24(23)30)34(25)18-27(35)33-29(31)32-21-11-7-20(8-12-21)28(36)37/h3-6,9-10,13-16,20-21H,2,7-8,11-12,17-18H2,1H3,(H,36,37)(H3,31,32,33,35)/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	78	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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