Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50315014'   

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))	BDBM50315014 (4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...) Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c27-25-8-4-7-22(28-25)17-30-23(18-5-2-1-3-6-18)15-16-24(30)19-9-11-20(12-10-19)26(31)29-21-13-14-21/h1-12,15-16,21H,13-14,17H2,(H2,27,28)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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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