Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16717'   

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))	BDBM16717 (1-N-[1-hydroxy-3-(3-methoxyphenyl)propan-2-yl]-3-N...) Show SMILES CNC(=O)c1cc(cc(c1)C(=O)NC(CO)Cc1cccc(OC)c1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H27N3O6S/c1-22-20(26)15-10-16(12-18(11-15)24(2)31(4,28)29)21(27)23-17(13-25)8-14-6-5-7-19(9-14)30-3/h5-7,9-12,17,25H,8,13H2,1-4H3,(H,22,26)(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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. Test compounds were preincubated with enzymes for ...				J Med Chem 49: 6147-50 (2006) Article DOI: 10.1021/jm060884i BindingDB Entry DOI: 10.7270/Q2VD6WQZ
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