Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM26501'   

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))	BDBM26501 (N-(5-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimid...) Show SMILES Cc1ccc(Nc2cc(ncn2)-c2ccc3OCCOc3c2)cc1NS(C)(=O)=O Show InChI InChI=1S/C20H20N4O4S/c1-13-3-5-15(10-16(13)24-29(2,25)26)23-20-11-17(21-12-22-20)14-4-6-18-19(9-14)28-8-7-27-18/h3-6,9-12,24H,7-8H2,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution wa...				Bioorg Med Chem Lett 19: 17-20 (2009) Article DOI: 10.1016/j.bmcl.2008.11.027 BindingDB Entry DOI: 10.7270/Q22J696F
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