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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50323208'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50323208
PNG
(CHEMBL453479 | kayaflavone)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(31.87,-8.18,;30.33,-8.18,;29.56,-6.85,;30.33,-5.52,;29.56,-4.18,;28.02,-4.18,;27.25,-5.52,;28.02,-6.85,;27.25,-2.85,;28.02,-1.51,;27.25,-.18,;28.02,1.15,;25.71,-.18,;24.94,1.15,;25.71,2.49,;23.4,1.15,;22.63,-.18,;21.09,-.18,;20.32,1.15,;23.4,-1.51,;22.63,-2.85,;21.09,-2.85,;20.32,-4.18,;21.09,-5.52,;22.63,-5.52,;23.4,-4.18,;24.94,-4.18,;25.71,-5.52,;18.78,-4.18,;18.01,-2.85,;16.47,-2.85,;15.69,-1.51,;15.69,-4.18,;16.47,-5.52,;15.69,-6.85,;14.15,-6.85,;13.39,-8.18,;13.39,-5.52,;14.15,-4.18,;13.39,-2.85,;18.01,-5.52,;24.94,-1.51,;25.71,-2.85,)|
Show InChI InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34,36,38H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair