Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM16258'   

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 2 (Homo sapiens (Human))	BDBM16258 (1-N-benzyl-3-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r| Show InChI InChI=1S/C35H53N5O7S/c1-21(2)15-29(30(41)16-24(7)32(42)39-31(22(3)4)35(45)37-23(5)6)38-34(44)27-17-26(18-28(19-27)40(8)48(9,46)47)33(43)36-20-25-13-11-10-12-14-25/h10-14,17-19,21-24,29-31,41H,15-16,20H2,1-9H3,(H,36,43)(H,37,45)(H,38,44)(H,39,42)/t24-,29+,30+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	523	-37.3	n/a	n/a	n/a	n/a	n/a	4.5	37
Purdue University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 50: 2399-407 (2007) Article DOI: 10.1021/jm061338s BindingDB Entry DOI: 10.7270/Q2348HNP
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