Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50340591'   

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))	BDBM50340591 (Acetic acid 5'-acetoxy-4-trifluoromethyl-[1,1';4',...) Show SMILES CC(=O)Oc1cc(c(OC(C)=O)cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H17F3O4/c1-14(27)29-21-13-20(17-8-10-18(11-9-17)23(24,25)26)22(30-15(2)28)12-19(21)16-6-4-3-5-7-16/h3-13H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
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