Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16705'   

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))	BDBM16705 (5-(2-acetylphenyl)-1-N-[(2S)-1-hydroxy-3-phenylpro...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H32N2O4/c1-22(25-13-7-4-8-14-25)34-32(38)27-18-26(31-16-10-9-15-30(31)23(2)37)19-28(20-27)33(39)35-29(21-36)17-24-11-5-3-6-12-24/h3-16,18-20,22,29,36H,17,21H2,1-2H3,(H,34,38)(H,35,39)/t22-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	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 ...				Bioorg Med Chem Lett 17: 823-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.051 BindingDB Entry DOI: 10.7270/Q2057D56
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