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BDBM50323214 6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one::CHEMBL291426::HINOKIFLAVONE

SMILES: Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1

InChI Key: InChIKey=DWXKOQIOXVVGJJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50323214   
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-secretase 1


(Homo sapiens (Human))
BDBM50323214
PNG
(6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H
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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
Cathepsin K


(Homo sapiens (Human))
BDBM50323214
PNG
(6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H
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n/an/a 1.54E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin K


Bioorg Med Chem Lett 16: 6178-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.042
BindingDB Entry DOI: 10.7270/Q2C25069
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50323214
PNG
(6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H
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n/an/a 9.50E+3n/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
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50323214
PNG
(6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H
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n/an/a 7.80E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Eur J Med Chem 45: 1724-30 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.005
BindingDB Entry DOI: 10.7270/Q27P926M
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50323214
PNG
(6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H
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n/an/a 6.20E+4n/an/an/an/an/an/a



MediChem Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase p66/p51 expressed in Escherichia coli


J Nat Prod 60: 884-8 (1997)


Article DOI: 10.1021/np9700275
BindingDB Entry DOI: 10.7270/Q2JD50MP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50323214
PNG
(6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H
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n/an/a 4.18E+10n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Eur J Med Chem 45: 1724-30 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.005
BindingDB Entry DOI: 10.7270/Q27P926M
More data for this
Ligand-Target Pair