Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50303744'   

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))	BDBM50303744 (2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...) Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:17| Show InChI InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
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