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BDBM50323209 7,4',7'',4'''-O-methyl-amentoflavone::CHEMBL378516::amentoflavone-7,7'',4',4'''-tetramethyl ether

SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1

InChI Key: InChIKey=BBNOOYIGRYNYQJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323209   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50323209
PNG
(7,4',7'',4'''-O-methyl-amentoflavone | CHEMBL37851...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(25.11,-22.48,;26.42,-23.29,;26.38,-24.83,;27.68,-25.64,;27.63,-27.18,;26.27,-27.9,;24.97,-27.1,;25.01,-25.56,;26.22,-29.44,;27.54,-30.25,;27.49,-31.81,;28.8,-32.62,;26.13,-32.54,;26.08,-34.07,;27.39,-34.88,;24.72,-34.8,;23.41,-33.99,;22.06,-34.72,;20.75,-33.91,;23.45,-32.45,;22.12,-31.68,;20.79,-32.44,;19.46,-31.66,;19.46,-30.13,;20.79,-29.36,;22.13,-30.14,;23.46,-29.37,;23.46,-27.83,;18.13,-32.43,;18.12,-33.98,;16.78,-34.75,;16.77,-36.29,;15.44,-33.98,;15.44,-32.42,;14.11,-31.66,;12.78,-32.43,;11.44,-31.66,;11.44,-30.12,;12.78,-33.98,;14.11,-34.75,;14.11,-36.28,;16.78,-31.65,;24.8,-31.72,;24.85,-30.17,)|
Show InChI InChI=1S/C34H26O10/c1-39-19-8-5-17(6-9-19)27-15-24(37)33-25(38)16-29(42-4)31(34(33)44-27)21-11-18(7-10-26(21)41-3)28-14-23(36)32-22(35)12-20(40-2)13-30(32)43-28/h5-16,36,38H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Meiji Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay


Bioorg Med Chem Lett 29: 1994-1997 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.020
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50323209
PNG
(7,4',7'',4'''-O-methyl-amentoflavone | CHEMBL37851...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(25.11,-22.48,;26.42,-23.29,;26.38,-24.83,;27.68,-25.64,;27.63,-27.18,;26.27,-27.9,;24.97,-27.1,;25.01,-25.56,;26.22,-29.44,;27.54,-30.25,;27.49,-31.81,;28.8,-32.62,;26.13,-32.54,;26.08,-34.07,;27.39,-34.88,;24.72,-34.8,;23.41,-33.99,;22.06,-34.72,;20.75,-33.91,;23.45,-32.45,;22.12,-31.68,;20.79,-32.44,;19.46,-31.66,;19.46,-30.13,;20.79,-29.36,;22.13,-30.14,;23.46,-29.37,;23.46,-27.83,;18.13,-32.43,;18.12,-33.98,;16.78,-34.75,;16.77,-36.29,;15.44,-33.98,;15.44,-32.42,;14.11,-31.66,;12.78,-32.43,;11.44,-31.66,;11.44,-30.12,;12.78,-33.98,;14.11,-34.75,;14.11,-36.28,;16.78,-31.65,;24.8,-31.72,;24.85,-30.17,)|
Show InChI InChI=1S/C34H26O10/c1-39-19-8-5-17(6-9-19)27-15-24(37)33-25(38)16-29(42-4)31(34(33)44-27)21-11-18(7-10-26(21)41-3)28-14-23(36)32-22(35)12-20(40-2)13-30(32)43-28/h5-16,36,38H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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