Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50315015'   

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))	BDBM50315015 (4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 Show InChI InChI=1S/C26H26N4O/c1-18(2)28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)17-22-9-6-10-25(27)29-22/h3-16,18H,17H2,1-2H3,(H2,27,29)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay				Bioorg Med Chem Lett 20: 2068-73 (2010) Article DOI: 10.1016/j.bmcl.2010.02.075 BindingDB Entry DOI: 10.7270/Q2PG1RWS
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