BDBM9461 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one::Biochanin A (2)::Biochanin A (BCA)::Biochanin A, 9::CHEMBL131921::cid_5280373

SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O

InChI Key InChIKey=WUADCCWRTIWANL-UHFFFAOYSA-N

Data  10 KI  19 IC50  3 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 9461   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  53nM ΔG°:  -9.92kcal/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 7(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  372nM ΔG°:  -8.77kcal/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
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of CYP1B1 in human liver microsomes coexpressing recombinant human cytochrome P450 oxidoreductase using 7-ethoxyresorufin as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  2.03E+3nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  7.08E+3nM ΔG°:  -7.02kcal/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 1(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
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
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
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
TargetAromatase(Homo sapiens (Human))
Ohio State University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.98kcal/mole IC50:  3.40E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Ohio State University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.98kcal/mole IC50:  3.40E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Ohio State University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of human placental microsome aromatase using [1beta,2beta3H]androstenedione as substrate after 15 mins in presence of NADPH by liquid scin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed