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  16 IC50  3 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 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...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£ Laval

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
Universität Tübingen

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAromatase(Homo sapiens (Human))
Indian Institute of Technology (BHU)

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAromatase(Homo sapiens (Human))
Indian Institute of Technology (BHU)

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAromatase(Homo sapiens (Human))
Indian Institute of Technology (BHU)

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAromatase(Homo sapiens (Human))
Indian Institute of Technology (BHU)

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 1.13E+5nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
TargetSeed linoleate 13S-lipoxygenase-1(Glycine max (soybean))
University of Karachi

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 1.00E+5nMpH: 8.0 T: 2°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
Target17-beta-hydroxysteroid dehydrogenase type 3(Homo sapiens (Human))
Cardiff University

LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 1.08E+4nMpH: 7.45 T: 2°CAssay Description:Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.More data for this Ligand-Target Pair
TargetTranscription factor p65(Homo sapiens (Human))
SRMLSC

Curated by PubChem BioAssay
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
Universität Tübingen

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetD(1B) dopamine receptor(Homo sapiens (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...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAndrogen receptor(Homo sapiens (Human))
Meijo University

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
Target3-hydroxyacyl-[acyl-carrier-protein] dehydratase(Plasmodium falciparum)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of FabZMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
Indian Institute of Technology (BHU)

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 10.2nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAromatase(Homo sapiens (Human))
Indian Institute of Technology (BHU)

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 1.13E+5nMAssay Description:Inhibition of aromataseMore data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3 [702-738,740-752](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
Target17-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetAldo-keto reductase family 1 member B10(Homo sapiens (Human))
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM9461(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Affinity DataIC50: 3nMAssay Description:Inhibition of EGFR in human A431 cellsMore data for this Ligand-Target Pair