Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50226456'   

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))	BDBM50226456 (2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimi...) Show SMILES CN1C(=O)CC(C)(CCc2ccccc2)N=C1N |c:16| Show InChI InChI=1S/C14H19N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7H,8-10H2,1-2H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair				3D Structure (crystal)