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 c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
InChI Key InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 438 hits for monomerid = 7460
Affinity DataIC50: 10nMAssay Description:Inhibition of bovine MAO-A by fluorimetric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Human)
Central Food Technological Research Institute
Curated by ChEMBL
Central Food Technological Research Institute
Curated by ChEMBL
Affinity DataIC50: 14.8nMAssay Description:Inhibition of cataracted human eye lens aldose reductaseMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology
Curated by ChEMBL
National Institute of Immunology
Curated by ChEMBL
Affinity DataKi: 22nMAssay Description:Inhibition of Plasmodium falciparum ENR in presence of triclosanMore data for this Ligand-Target Pair
Affinity DataKi: 23nMAssay Description:Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
Affinity DataKi: 23nMAssay Description:Inhibition of CYP1B1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 25nMAssay Description:Binding affinity to non phosphorylated PIM1More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Bonn
Curated by ChEMBL
University of Bonn
Curated by ChEMBL
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
Affinity DataKd: 38.7nMAssay Description:Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 43nMAssay Description:Inhibitory activity against PIM1More data for this Ligand-Target Pair
Affinity DataKi: 45.3nMAssay Description:Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis methodMore data for this Ligand-Target Pair
Affinity DataIC50: 77nMAssay Description:Inhibition of CYP1B1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 77nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
Affinity DataIC50: 174nMAssay Description:Inhibition of MMP9 (unknown origin) by colorimetric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Bonn
Curated by ChEMBL
University of Bonn
Curated by ChEMBL
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
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Bonn
Curated by ChEMBL
University of Bonn
Curated by ChEMBL
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
Affinity DataKi: 280nMAssay Description:Inhibition of xanthine oxidase (unknown origin) at 37 degC at ph 7..8More data for this Ligand-Target Pair
Affinity DataIC50: 3.80E+3nM Kd: 280nMpH: 7.2 T: 2°CAssay Description:Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated wit...More data for this Ligand-Target Pair
Affinity DataIC50: 290nMAssay Description:Inhibition of rat liver SULT1A1-mediated oestradiol sulfonation incubated for 20 minsMore data for this Ligand-Target Pair
TargetInsulin-like growth factor 1 receptor(Human)
Heinrich-Heine-Universit£T D£Sseldorf
Curated by ChEMBL
Heinrich-Heine-Universit£T D£Sseldorf
Curated by ChEMBL
Affinity DataIC50: 300nMAssay Description:Inhibition of IGF1R (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 300nMAssay Description:Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNLMore data for this Ligand-Target Pair
Affinity DataIC50: 300nMAssay Description:Compound was tested for its in vitro inhibitory activity against RBL-1 5-LO (time dependent)More data for this Ligand-Target Pair
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 385nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
Affinity DataIC50: 400nMAssay Description:Inhibition of XO (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 400nMAssay Description:Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Rabbit)
Tahitian Noni International
Curated by ChEMBL
Tahitian Noni International
Curated by ChEMBL
Affinity DataIC50: 430nMAssay Description:Inhibition of 15LOX in rabbit reticulocytes by EIA assayMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid lipoxygenase ALOX12(Human)
Universidad De Santiago De Chile
Curated by ChEMBL
Universidad De Santiago De Chile
Curated by ChEMBL
Affinity DataKi: 472nMAssay Description:Inhibition of YES (unknown origin)More data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology
Curated by ChEMBL
National Institute of Immunology
Curated by ChEMBL
Affinity DataKi: 473nMAssay Description:Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of PIM1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 550nMAssay Description:Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATPMore data for this Ligand-Target Pair
Affinity DataIC50: 550nMAssay Description:Inhibition of human recombinant CK2 expressed in Escherichia coli using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
Affinity DataIC50: 550nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
TargetHepatocyte growth factor receptor(Human)
Heinrich-Heine-Universit£T D£Sseldorf
Curated by ChEMBL
Heinrich-Heine-Universit£T D£Sseldorf
Curated by ChEMBL
Affinity DataIC50: 580nMAssay Description:Inhibition of wild type MET (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 590nMAssay Description:Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 600nMAssay Description:Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...More data for this Ligand-Target Pair
Affinity DataKi: 660nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
Affinity DataIC50: 680nMAssay Description:Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assayMore data for this Ligand-Target Pair
TargetInositol hexakisphosphate kinase 2(Human)
National Institute of Environmental Health Sciences
Curated by ChEMBL
National Institute of Environmental Health Sciences
Curated by ChEMBL
Affinity DataIC50: 700nMAssay Description:Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
Affinity DataIC50: 790nMAssay Description:Inhibition of 5LOX in human PBMC by EIA assayMore data for this Ligand-Target Pair
Affinity DataIC50: 820nMAssay Description:Inhibition of amyloid beta 40 peptide (unknown origin) aggregation incubated for 2 hr by ThT fluorescence based spectrofluorimetric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 910nMAssay Description:Inhibition of aurora-B (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase receptor UFO(Human)
Heinrich-Heine-Universit£T D£Sseldorf
Curated by ChEMBL
Heinrich-Heine-Universit£T D£Sseldorf
Curated by ChEMBL
Affinity DataIC50: 960nMAssay Description:Inhibition of AXL (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMAssay Description:In vitro inhibitory activity against L-Hexonate Dehydrogenase from rat kidneyMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assayMore data for this Ligand-Target Pair
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
National Institute of Immunology
Curated by ChEMBL
National Institute of Immunology
Curated by ChEMBL
Affinity DataKi: 1.09E+3nMAssay Description:Inhibition of Plasmodium falciparum ENR using NADH substrateMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 4 hits for monomerid = 7460
ITC DataΔG°: -9.78kcal/mole −TΔS°: -0.257kcal/mole ΔH°: -9.58kcal/mole logk: 3.93E+7
pH: 7.5 T: 10.00°C
pH: 7.5 T: 10.00°C
ITC DataΔG°: -8.08kcal/mole −TΔS°: 0.840kcal/mole ΔH°: -8.92kcal/mole logk: 6.82E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -7.40kcal/mole −TΔS°: -2.66kcal/mole ΔH°: -4.74kcal/mole logk: 2.20E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C
ITC DataΔG°: -7.94kcal/mole −TΔS°: -2.82kcal/mole ΔH°: -5.12kcal/mole logk: 5.42E+5
pH: 7.0 T: 30.00°C
pH: 7.0 T: 30.00°C

3D Structure (crystal)