BDBM23409 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one::CHEMBL379064::Isorhamnetin::Isorhamnetin (17)

SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O

InChI Key InChIKey=IZQSVPBOUDKVDZ-UHFFFAOYSA-N

Data  10 KI  15 IC50  1 Other

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 23409   

TargetAldo-keto reductase family 1 member B1(Pig)
Fukuyama University

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 9.50E+4nMAssay Description:Inhibition of pig lens aldose reductase by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
University Clinic Hospital of Valencia

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 3.50E+3nMAssay Description:Antagonist activity at PPARgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetInositol hexakisphosphate kinase 2(Human)
National Institute of Environmental Health Sciences

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 500nMAssay 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
In DepthDetails Article
PubMed
TargetInositol polyphosphate multikinase(Human)
National Institute of Environmental Health Sciences

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetXanthine dehydrogenase/oxidase(Human)
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 2.51E+3nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOligo-1,6-glucosidase IMA1(Baker's yeast)
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 1.60E+5nMAssay Description:Inhibition of baker's yeast alpha-glucosidaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-oxoacyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of FabGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEnoyl-acyl-carrier protein reductase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of FabIMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1B1(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A1(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 56nMAssay Description:Inhibition of human CYP1A1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of human CYP1A2 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-amylase 1A(Human)
Nestle Research Center

LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DatapH: 6.0 T: 2°CAssay Description:The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPancreatic triacylglycerol lipase(Pig)
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase B(Human)
Konkuk University

LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 4.34E+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 Article
PubMed
TargetMitogen-activated protein kinase 10(Human)
Eberhard Karls University of Tuebingen

LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 6.30E+3nMT: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase 14(Human)
Eberhard Karls University of Tuebingen

LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataIC50: 2.01E+4nMT: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1B1(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  3nMAssay Description:Inhibition of human liver microsomes CYP1B1 expressed in baculovirus infected insect cells coexpressing human NADPH-cytochrome P450 reductase using 7...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  4.40nM ΔG°:  -11.4kcal/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 Article
PubMed
TargetCarbonic anhydrase 12(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  55nM ΔG°:  -9.90kcal/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 Article
PubMed
TargetCarbonic anhydrase 4(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  213nM ΔG°:  -9.10kcal/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 Article
PubMed
TargetCarbonic anhydrase 12(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  220nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  440nM ΔG°:  -8.67kcal/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 Article
PubMed
TargetCytochrome P450 1B1(Human)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human liver microsomes CYP1B1 expressed in Escherichia coli DH5alpha cell membranes coexpressing human NADPH-cytochrome P450 reductase ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
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 Article
PubMed
TargetCarbonic anhydrase 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
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 Article
PubMed
TargetCarbonic anhydrase 2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(CHEMBL379064 | 3,5,7-trihydroxy-2-(4-hydroxy-3-met...)
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 Article
PubMed