BDBM50049391 3,5,7-Trihydroxyflavone::3,5,7-triOH-flavone::3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one::3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one::CHEMBL309490::Galangin::Galangin (15)::Galangin (Gal)::cid_5281616::norizalpinin

SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O

InChI Key InChIKey=VCCRNZQBSJXYJD-UHFFFAOYSA-N

Data  19 KI  23 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50049391   

TargetCarbonic anhydrase 7(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  25nM ΔG°:  -10.4kcal/moleT: 25°CAssay Description:Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  42nM ΔG°:  -10.1kcal/moleT: 25°CAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 4(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  568nM ΔG°:  -8.51kcal/moleT: 25°CAssay Description:Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  589nMAssay Description:Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  863nMAssay Description:Displacement of specific [3H]-PIA binding from adenosine A1 receptor in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  863nMAssay Description:Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  966nMAssay Description:Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  3.15E+3nMAssay Description:Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  3.15E+3nMAssay Description:Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  5.60E+3nMAssay Description:Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by Lanthascreen TR-FRET assay relative to controlMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetProtein disulfide-isomerase(Human)
Fuzhou University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  5.90E+3nMAssay Description:Binding affinity to recombinant His-tagged full length human PDI-b' x domain substrate binding pocket expressed in Escherichia coli BL21 (DE3) cells ...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCholinesterase(Human)
Institute For Medical Research and Occupational Health

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  6.90E+3nMAssay Description:Inhibition of human plasma BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 25°CAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 25°CAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  1.67E+4nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  1.81E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  3.30E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAcetylcholinesterase(Human)
Institute For Medical Research and Occupational Health

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  8.56E+4nMAssay Description:Inhibition of human recombinant AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAromatase(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKi:  1.00E+5nMAssay Description:Inhibition of human aromatase expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  4.81E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAcetylcholinesterase(Human)
Institute For Medical Research and Occupational Health

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  12nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article

TargetShort transient receptor potential channel 5(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  450nMAssay Description:Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fluo-4 dye based fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rabbit)
University of Chemistry and Technology Prague

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of rabbit skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHistone-lysine N-methyltransferase SETD7(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and bio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  5.01E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAmine oxidase [flavin-containing] A(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  130nMAssay Description:Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAmine oxidase [flavin-containing] B(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  3.65E+3nMAssay Description:Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in pre...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDNA gyrase subunit A/B(Escherichia coli (strain K12))TBA
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >1.85E+6nMAssay Description:In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI)More data for this Ligand-Target Pair
In DepthDetails

TargetXanthine dehydrogenase/oxidase(Human)
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Dongguk University-Seoul

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
Chosun University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKd:  5.89E+3nMAssay Description:Binding affinity to ABCB1 nucleotide binding domain 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of FabGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  25nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human CYP1A2 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A1(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  77nMAssay Description:Inhibition of human CYP1A1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPolyphenol oxidase 2(White button mushroom)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of mushroom tyrosinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAmyloid-beta precursor protein(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Mouse)
DéPartement De Pharmacochimie MoléCulaire Umr-Cnrs 5063

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataKd:  5.90E+3nMAssay Description:Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-GlycoproteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase Lck(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  2.96E+5nMAssay Description:Inhibition of p56 lckMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDipeptidyl peptidase 3(Human)
Josip Juraj Strossmayer University of Osijek

LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  2.34E+4nMpH: 7.4 T: 37°CAssay Description:The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAmyloid-beta precursor protein(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >5.00E+5nMpH: 7.4 T: 25°CAssay Description:Fluorescence intensity was measured at 420 nm excitation and 485 nm emission using a microplate reader (MPR-A4ιII; TOSOH, Tokyo, Japan, or Fluoroska...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetAurora kinase B(Human)
Konkuk University

LigandPNGBDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Affinity DataIC50:  9.80E+3nMAssay Description:The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed