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.

  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 30 hits for monomerid = 9461   

TargetCarbonic anhydrase 12(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: 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 7(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: 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

TargetCytochrome P450 1B1(Human)
Laval University

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(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(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: 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

TargetCarbonic anhydrase 1(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: 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
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
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

TargetAromatase(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: 37°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(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: 37°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(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

TargetEpidermal growth factor receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.05E+5nMAssay Description:Inhibition of EGFR in human A431 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPancreatic triacylglycerol lipase(Pig)
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target17-beta-hydroxysteroid dehydrogenase type 3(Human)
Cardiff University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.08E+4nMpH: 7.45 T: 37°CAssay Description:Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTranscription factor p65(Human)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataEC50:  5.59E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetD(1B) dopamine receptor(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataEC50:  0.00334nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetCarbonyl reductase [NADPH] 1(Human)
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.27E+4nMAssay 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

TargetSignal transducer and activator of transcription 3 [702-738,740-752](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataEC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetAndrogen receptor(Human)
Meijo University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.60E+6nMAssay Description:Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(malaria parasite P. falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  10.2nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target17-beta-hydroxysteroid dehydrogenase type 2(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.13E+5nMAssay Description:Inhibition of aromataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLysine-specific histone demethylase 1A(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  2.95E+3nMAssay Description:Inhibition of recombinant KDM1A (unknown origin) using H3K4Me2 peptide as substrate incubated for 0.5 hrs by Amplex red assayMore data for this Ligand-Target Pair
In DepthDetails PubMed

Target17-beta-hydroxysteroid dehydrogenase type 2(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  9.90E+3nMAssay Description:Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAldo-keto reductase family 1 member B1(Human)
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.27E+5nMAssay Description:Inhibition of recombinant N-terminal His6-tagged AKR1B1 (unknown origin) expressed in Escherichia coli BL21 cells using all-trans-retinal as substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAldo-keto reductase family 1 member B10(Human)
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  3.61E+4nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLysine-specific histone demethylase 1A(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  2.95E+3nMAssay Description:Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as a substrate measured after 0.5 hrs by fluorescence based analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetLysine-specific histone demethylase 1A(Human)
Hangzhou Normal University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  2.95E+3nMAssay Description:Inhibition of recombinant LSD1 (unknown origin) incubated for 1 hrMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.13E+5nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSeed linoleate 13S-lipoxygenase-1(Soybean)
University of Karachi

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.00E+5nMpH: 8.0 T: 25°CAssay Description:A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed