BDBM4078 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione::CHEMBL6246::ELLAGIC ACID::Elagic Acid::Ellagic acid (18)::Ellagic acid dihydrate::MLS000069632::SMR000058244::cid_5281855
SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
InChI Key InChIKey=AFSDNFLWKVMVRB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 118 hits for monomerid = 4078
TargetCasein kinase II subunit alpha(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
Affinity DataKi: 20nMAssay Description:Inhibition of CK2alpha (unknown origin)More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 1.95E+3nMAssay Description:Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrateMore data for this Ligand-Target Pair
Affinity DataKi: 2.18E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 2.32E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Catholic University of Daegu
Catholic University of Daegu
Affinity DataKi: 2.80E+3nMAssay Description:The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...More data for this Ligand-Target Pair
Affinity DataKi: 4.24E+3nMAssay Description:Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 4.53E+3nM IC50: 1.45E+4nMpH: 7.0Assay Description:Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...More data for this Ligand-Target Pair
Affinity DataKi: 6.32E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 7.06E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 7.59E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.15E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.79E+3nMAssay Description:Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 8.91E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.08E+3nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 9.37E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.01E+4nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.03E+4nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.05E+4nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.27E+4nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Affinity DataKi: 6.82E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 7.98E+4nMAssay Description:Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.46E+5nM ΔG°: -5.23kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...More data for this Ligand-Target Pair
Affinity DataKi: 2.07E+5nM ΔG°: -5.02kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...More data for this Ligand-Target Pair
Affinity DataIC50: 300nMpH: 7.4 T: 2°CAssay Description:IC50 is the inhibitor concentration, which inhibits 50% of pp60c-src activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] ...More data for this Ligand-Target Pair
Affinity DataIC50: 600nMpH: 7.4 T: 2°CAssay Description:IC50 is the inhibitor concentration, which inhibits 50% of PKA activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] label...More data for this Ligand-Target Pair
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 760nMpH: 7.0 T: 2°CAssay Description:Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...More data for this Ligand-Target Pair
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: >1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
TargetAcetyl-CoA acetyltransferase/HMG-CoA reductase(Enterococcus faecalis)
Srmlsc
Curated by PubChem BioAssay
Srmlsc
Curated by PubChem BioAssay
Affinity DataIC50: 1.27E+6nMAssay 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
TargetMothers against decapentaplegic homolog 3(Homo sapiens (Human))
Emory University
Curated by PubChem BioAssay
Emory University
Curated by PubChem BioAssay
Affinity DataIC50: 142nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...More data for this Ligand-Target Pair
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University
Curated by PubChem BioAssay
Emory University
Curated by PubChem BioAssay
Affinity DataIC50: 4.77E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University
Curated by PubChem BioAssay
Emory University
Curated by PubChem BioAssay
Affinity DataIC50: 5.40E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
Sanford-Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Sanford-Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 3.95E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 9.92E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 1.23E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Target2'-phosphotransferase(Candida albicans SC5314)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 541nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
TargetGuanyl-specific ribonuclease T1(Aspergillus oryzae)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
Affinity DataIC50: 1.38E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Burnham Center For Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 980nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMpH: 8.8Assay Description:The reaction mixture contained DNA (1.25 uM or as specified), NTP (110 uM or as specified), 50 mM NaCl, 150 mM potassium glutamate, buffer [20 mM CAP...More data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate sp...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Catholic University of Daegu
Catholic University of Daegu
Affinity DataIC50: 7.73E+3nMpH: 6.0Assay Description:PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 8.0 T: 2°CAssay Description:Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibition of cruzain in presence of 0.01% Triton X-100More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Chungnam National University
Curated by ChEMBL
Chungnam National University
Curated by ChEMBL
Affinity DataIC50: 2.07E+4nMAssay Description:Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Homo sapiens (Human))
Università
Curated by ChEMBL
Università
Curated by ChEMBL
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of PKAMore data for this Ligand-Target Pair
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of NPM-ALKMore data for this Ligand-Target Pair
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 3.39E+3nMAssay Description:Inhibition of human recombinant CDK2/CyclinA expressed in Sf9 cells using histone H1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human recombinant aurora-B expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair