BDBM7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4

SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

InChI Key InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-N

Data  90 KI  304 IC50  9 Kd  18 EC50  4 ITC

PDB links: 33 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 7460   

TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50: >5.00E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  1.01E+4nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  1.24E+4nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOxytocin receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50: >2.99E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 5(Rattus norvegicus)
University Of Chile

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  6.34E+4nMAssay Description:Inhibition of rat fetal brain CDK5 assessed as phosphorylated histone H1 levels by immuno-precipitationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Rigel

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  3.50E+4nMAssay Description:Inhibition of SYK in human mast cells assessed as reduction in mast cell degranulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
WestfÄLische Wilhelms-UniversitÄ

Curated by PDSP Ki Database
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50: >1.00E+5nMAssay Description:Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 35(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  8.02E+3nMAssay Description:Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 35(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  5.93E+3nMAssay Description:Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Tahitian Noni International

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50: >3.30E+5nMAssay Description:Ex vivo inhibition of LTB4 production was measured in dog bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  278nMAssay Description:Activation of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  30nMAssay Description:Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  278nMAssay Description:Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
University Of Crete

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  1.10E+3nMAssay Description:Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 6....More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
University Of Crete

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  8.80E+3nMAssay Description:Inhibition of human CYP1A1 transfected in HEK293 cells assessed as protection against CYP1A1 mediated B[a]P toxicity by measuring B[a]P EC50 at 20 uM...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Konkuk University

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  8.34E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
TargetSpike glycoprotein(SARS-CoV)
University of Bonn

LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  8.34E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacylase sirtuin-6(Homo sapiens (Human))TBA
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataEC50:  9.90E+5nMAssay Description:Antagonist activity at histamine H3 receptor in electrically-stimulated guinea pig ileumMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 7460   

CellPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Oxford University

SyringeSerine/threonine-protein kinase PIM(Homo sapiens (Human))
ITC DataΔG°: -9.78kcal/mole −TΔS°: -0.257kcal/mole ΔH°: -9.58kcal/mole logk: 3.93E+7
pH: 7.5 T: 10.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
ITC DataΔG°: -8.08kcal/mole −TΔS°: 0.840kcal/mole ΔH°: -8.92kcal/mole logk: 6.82E+5
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
ITC DataΔG°: -7.40kcal/mole −TΔS°: -2.66kcal/mole ΔH°: -4.74kcal/mole logk: 2.20E+5
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR-DNA(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
ITC DataΔG°: -7.94kcal/mole −TΔS°: -2.82kcal/mole ΔH°: -5.12kcal/mole logk: 5.42E+5
pH: 7.0 T: 30.00°C