Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50323195'   

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))	BDBM50323195 (CHEMBL255493 | sequoiaflavone) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-7.9,-15.38,;-6.36,-15.38,;-5.59,-14.05,;-4.05,-14.05,;-3.28,-12.71,;-1.74,-12.71,;-.97,-11.38,;-1.74,-10.05,;-3.28,-10.05,;-4.05,-8.71,;-4.05,-11.38,;-5.59,-11.38,;-6.36,-10.05,;-6.36,-12.71,;.57,-11.38,;1.34,-12.71,;2.88,-12.71,;3.65,-11.38,;5.19,-11.38,;2.88,-10.05,;1.34,-10.05,;3.65,-8.71,;2.88,-7.37,;1.34,-7.37,;3.65,-6.05,;5.19,-6.05,;5.96,-4.71,;5.96,-7.37,;5.19,-8.71,;5.96,-10.05,;7.5,-10.05,;8.28,-8.71,;7.5,-7.37,;8.28,-6.05,;8.28,-11.38,;9.82,-11.38,;10.58,-12.71,;9.82,-14.05,;10.58,-15.38,;8.28,-14.05,;7.5,-12.71,)| Show InChI InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
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