BDBM23420 7,4′-Dihydroxy-isoflavone (3a)::7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one::CHEMBL8145::Daidzein::US8552057, 7

SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O

InChI Key InChIKey=ZQSIJRDFPHDXIC-UHFFFAOYSA-N

Data  8 KI  37 IC50  1 Kd  1 Other

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 47 hits for monomerid = 23420   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKi:  4.20nM 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
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKi:  56nM ΔG°:  -9.89kcal/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
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKi:  300nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKi:  719nM ΔG°:  -8.37kcal/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
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-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
TargetAromatase(Homo sapiens (Human))
King'S College London

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKi:  1.00E+5nMAssay Description:Inhibition of human aromatase expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.20E+3nMAssay Description:Displacement of [3H]estradiol from human recombinant ERbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.70E+4nMAssay Description:Displacement of [3H]estradiol from human recombinant ERalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  2.16E+3nMAssay Description:Binding affinity against human estrogen receptor alpha in competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  303nMAssay Description:Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(RAT)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.20E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  7.30E+3nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Amorepacific

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  4.30E+5nMAssay Description:Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Amorepacific

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of xanthine oxidase (unknown origin) assessed as decrease of uric acid generationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosinase(Mus musculus (Mouse))
Amorepacific

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of tyrosinase in mouse Melan-a cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  450nMAssay Description:Displacement of fluorescent labeled ES2 from recombinant ERalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  6.30E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(Plasmodium falciparum)
University Of Zurich

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  2.80E+3nMAssay Description:Binding affinity for human Estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  2.80E+3nMAssay Description:Binding affinity for human Estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Ovis aries)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataKd:  5.90E+3nMAssay Description:Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
University Of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  3.22E+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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.62E+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
TargetNeuraminidase(Influenza A virus)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  3.71E+4nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  3.69E+4nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  2.66E+4nMAssay Description:Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  4.68E+4nMAssay Description:Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.05E+5nMAssay Description:Inhibition of recombinant SARS coronavirus 3C-like protease trans-cleavage activity by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrease subunit beta(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
Jishou University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  5.56E+5nMAssay Description:Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-glucosidase MAL62(Saccharomyces cerevisiae)TBA
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.40E+10nMAssay Description:Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
TargetProteasome subunit beta type-5(Homo sapiens (Human))
Institute Of Agricultural And Food Biotechnology

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of chymotrypsin-like activity of purified human erythrocyte 20S proteasome assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-glucuronidase(Escherichia coli (Enterobacteria))
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.61E+6nMAssay Description:Inhibition of Escherichia coli beta-glucuronidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-glucuronidase(Rattus norvegicus)
University Of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.96E+6nMAssay Description:Inhibition of rat liver beta-glucuronidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  2.67E+4nMAssay Description:Displacement of EL red from human full-length ER-alpha expressed in baculovirus expression system incubated for 2 hrs by fluorescence polarization as...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of hamster liver aldehyde dehydrogenase ALDH-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of Hamster Liver mitochondrial ALDH-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50: >3.93E+5nMAssay Description:Inhibition of EGFR in human A431 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of binding of 17 beta-estradiol to human Estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  2.80E+3nMAssay Description:The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPolyunsaturated fatty acid lipoxygenase ALOX15(Homo sapiens (Human))
Universidad De Santiago De Chile

LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 2°CAssay Description:All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50:  1.74E+3nMAssay Description:Displacement of EL red from human full-length ER-beta expressed in baculovirus expression system incubated for 2 hrs by fluorescence polarization ass...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-amylase 1A(Homo sapiens (Human))
Nestle Research Center

LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
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 ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX12(Homo sapiens (Human))
Universidad De Santiago De Chile

LigandPNGBDBM23420(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Affinity DataIC50: >1.00E+5nMpH: 8.0 T: 2°CAssay Description:All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed