Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50340598'   

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))	BDBM50340598 (Acetic acid 5'-acetoxy-4,4'-dimethoxy-[1,1';4',1''...) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c(cc1OC(C)=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C24H22O6/c1-15(25)29-23-13-22(18-7-11-20(28-4)12-8-18)24(30-16(2)26)14-21(23)17-5-9-19(27-3)10-6-17/h5-14H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+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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