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 19 hits for monomerid = 50049391   

TargetCarbonic anhydrase 7(Homo sapiens (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: 2°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(Homo sapiens (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: 2°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(Homo sapiens (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: 2°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(Homo sapiens (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(Rattus norvegicus (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(Rattus norvegicus (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(Rattus norvegicus (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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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: 2°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(Homo sapiens (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: 2°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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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