Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50171339'   

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))	BDBM50171339 (1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...) Show SMILES CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1 Show InChI InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50171339 (1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...) Show SMILES CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1 Show InChI InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>25	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Inhibitory concentration against beta-site APP cleaving enzyme (BACE-1) by fluorescence resonance energy transfer assay				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair