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BDBM50209218 4',5,6,7,8-pentamethoxyflavone::5,6,7,8,4'-Pentamethoxyflavone::5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one::CHEMBL73930::Tangeretin

SMILES: COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1

InChI Key: InChIKey=ULSUXBXHSYSGDT-UHFFFAOYSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50209218   
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
Delta-type opioid receptor


(MOUSE)
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting


J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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1.63E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting


J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry


J Nat Prod 61: 71-6 (1998)


Article DOI: 10.1021/np970237h
BindingDB Entry DOI: 10.7270/Q29C6Z93
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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Article
PubMed
n/an/a 4.63E+6n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol method


Eur J Med Chem 63: 685-95 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.016
BindingDB Entry DOI: 10.7270/Q2D79FB1
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining


Bioorg Med Chem 19: 2090-102 (2011)


Article DOI: 10.1016/j.bmc.2010.12.043
BindingDB Entry DOI: 10.7270/Q2PZ593F
More data for this
Ligand-Target Pair