Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM26488'   

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))	BDBM26488 (N-{2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]pheny...) Show SMILES CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1F Show InChI InChI=1S/C17H15FN4O2S/c1-25(23,24)22-16-9-13(7-8-14(16)18)21-17-10-15(19-11-20-17)12-5-3-2-4-6-12/h2-11,22H,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	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
					More data for this Ligand-Target Pair