Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16703'   

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))	BDBM16703 ((2R)-2-(5-{3-[methyl(methylsulfonyl)amino]-5-(2-me...) Show SMILES CC(C)C(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C23H28N4O4S/c1-15(2)20(28)17-11-18(13-19(12-17)27(4)32(5,29)30)21-25-26-22(31-21)23(3,24)14-16-9-7-6-8-10-16/h6-13,15H,14,24H2,1-5H3/p+1/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.65E+4	-27.0	n/a	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: 1117-21 (2007) Article DOI: 10.1016/j.bmcl.2006.11.003 BindingDB Entry DOI: 10.7270/Q23X84W6
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