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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 23409   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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 ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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 ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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 ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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 ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Affinity DataKi:  220nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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 ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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 ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 2°CAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
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