Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50303743'   

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))	BDBM50303743 (2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3| Show InChI InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,14-2-4-17(5-3-14)32-21(23,24)25)15-6-12(7-16(22)8-15)13-9-27-11-28-10-13/h2-11H,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 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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