Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50067936'   

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))	BDBM50067936 (CHEMBL3400760) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C23H36N2O6/c1-15(2)12-18(21(28)30-6)24-20(27)14-19(26)17(13-16-10-8-7-9-11-16)25-22(29)31-23(3,4)5/h7-11,15,17-19,26H,12-14H2,1-6H3,(H,24,27)(H,25,29)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) after 90 mins by fluorescence assay				Bioorg Med Chem 23: 1963-74 (2015) Article DOI: 10.1016/j.bmc.2015.03.034 BindingDB Entry DOI: 10.7270/Q22N540B
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