Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16701'   

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))	BDBM16701 ((2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclop...) Show SMILES CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C31H44N4O4S/c1-21(2)19-33-30(36)23(4)32-20-28(16-24-10-8-7-9-11-24)34-31(37)27-15-25(12-13-26-14-22(26)3)17-29(18-27)35(5)40(6,38)39/h7-13,15,17-18,21-23,26,28,32H,14,16,19-20H2,1-6H3,(H,33,36)(H,34,37)/b13-12-/t22-,23-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	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 16: 3635-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.076 BindingDB Entry DOI: 10.7270/Q27P8WN0
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