Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50180393'   

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))	BDBM50180393 (CHEMBL205309 | tert-butyl 4-(4-bromo-2-(2-(7-metho...) Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1 Show InChI InChI=1S/C27H30BrN3O6/c1-27(2,3)37-26(34)31-11-9-30(10-12-31)22-8-5-18(28)15-21(22)29-24(32)13-17-14-25(33)36-23-16-19(35-4)6-7-20(17)23/h5-8,14-16H,9-13H2,1-4H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of BACE1 activity by FRET assay				Bioorg Med Chem Lett 16: 1995-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.064 BindingDB Entry DOI: 10.7270/Q29W0F2N
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