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BDBM50240897 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one::3',4',5-trihydroxy-3,7-dimethoxyflavone::CHEMBL164861::Quercetin-3,7-dimethylether

SMILES: COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O

InChI Key: InChIKey=LUJAXSNNYBCFEE-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50240897   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50240897
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
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MMDB

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CHEMBL
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)


Article DOI: 10.1002/cbic.201000487
BindingDB Entry DOI: 10.7270/Q21C1VDT
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50240897
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50240897
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
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KEGG
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UniChem

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Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay


J Med Chem 53: 6758-62 (2010)


Article DOI: 10.1021/jm1004368
BindingDB Entry DOI: 10.7270/Q2F18ZZ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50240897
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
PDB
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NCI pathway
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KEGG

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)


Article DOI: 10.1002/cbic.201000487
BindingDB Entry DOI: 10.7270/Q21C1VDT
More data for this
Ligand-Target Pair