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 c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
InChI Key InChIKey=AFSDNFLWKVMVRB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 120 hits for monomerid = 4078
Affinity DataEC50: 1.70nMAssay Description:Inhibition of amyloid beta 1 to 42 aggregation (unknown origin) incubated for 24 hrs by inverted fluorescence microscopic analysisMore data for this Ligand-Target Pair
Affinity DataEC50: 6nMAssay Description:Inhibition of amyloid beta 1 to 42 aggregation (unknown origin) incubated for 24 hrs by ThT fluorescence assayMore data for this Ligand-Target Pair
Affinity DataKi: 20nMAssay Description:Inhibition of CK2alpha (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of mouse CD73More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)More data for this Ligand-Target Pair
Affinity DataIC50: 62nMAssay Description:Inhibition of human recombinant DNA polymerase iota expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at ...More data for this Ligand-Target Pair
Affinity DataIC50: 62nMAssay Description:Inhibition of human recombinant DNA polymerase eta expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at 2...More data for this Ligand-Target Pair
Affinity DataIC50: 62nMAssay Description:Inhibition of recombinant human DNA polymerase eta expressed in baculovirus expression system using primer/TAMRA-labeled reporter/BHQ2-labeled templa...More data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 minsMore data for this Ligand-Target Pair
Affinity DataEC50: 110nMAssay Description:Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assayMore data for this Ligand-Target Pair
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
Affinity DataIC50: 200nMAssay Description:Inhibition of Rattus norvegicus (rat) lens aldose reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...More data for this Ligand-Target Pair
TargetInsulin-like growth factor 1 receptor(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 250nMAssay Description:Inhibition of human recombinant IGF1R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 260nMAssay Description:Inhibition of human recombinant TIE2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 270nMAssay Description:TP_TRANSPORTER: inhibition of ochratoxin A uptake (ochratoxin A / 1uM) in Xenopus laevis oocytesMore 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: 340nMAssay Description:Inhibition of human recombinant INS-R expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Human)
Shanghai Jiao Tong University
Curated by ChEMBL
Shanghai Jiao Tong University
Curated by ChEMBL
Affinity DataKd: 371nMAssay Description:Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
TargetEctonucleoside triphosphate diphosphohydrolase 1(Mouse)
Ningxia Medical University
Curated by ChEMBL
Ningxia Medical University
Curated by ChEMBL
Affinity DataIC50: 500nMAssay Description:Inhibition of mouse CD39More data for this Ligand-Target Pair
TargetNUAK family SNF1-like kinase 1(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 510nMAssay Description:Inhibition of human recombinant ARK5 expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetPolypeptide N-acetylgalactosaminyltransferase 2(Human)
Shanghai Jiao Tong University
Curated by ChEMBL
Shanghai Jiao Tong University
Curated by ChEMBL
Affinity DataIC50: 510nMAssay Description:Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...More data for this Ligand-Target Pair
Target2'-phosphotransferase(Yeast)
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
TargetHepatocyte growth factor receptor(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 580nMAssay Description:Inhibition of human recombinant MET expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 600nMAssay Description:Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...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
TargetEpidermal growth factor receptor(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 690nMAssay Description:Inhibition of human recombinant EGF-R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetSphingosine kinase 1(Human)
Shandong First Medical University & Shandong Academy of Medical Sciences
Curated by ChEMBL
Shandong First Medical University & Shandong Academy of Medical Sciences
Curated by ChEMBL
Affinity DataIC50: 740nMAssay Description:Inhibition of SphK1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using ATP as substrate preincubated for 1 hrs followed by substrate add...More data for this Ligand-Target Pair
TargetHeat shock 70 kDa protein 1A(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
TargetVascular endothelial growth factor receptor 2(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 790nMAssay Description:Inhibition of human recombinant VEGF-R2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 800nMAssay Description:Inhibition of human recombinant SRC expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(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
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 1.09E+3nMAssay Description:Inhibition of human recombinant CDK4/CyclinD1 expressed in Sf9 cells using RB-CTF as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 3(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
TargetPlatelet-derived growth factor receptor beta(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human recombinant PDGFRbeta expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 3(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibition of human recombinant VEGF-R3 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataEC50: 1.60E+3nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase B-raf(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 1.76E+3nMAssay Description:Inhibition of human recombinant B-RAF expressed in Sf9 cells using MEK1 KM as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 1.83E+3nMAssay Description:Inhibition of human recombinant EPHB4 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 1.85E+3nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
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
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Human)
Kangwon National University
Curated by ChEMBL
Kangwon National University
Curated by ChEMBL
Affinity DataIC50: 1.98E+3nMAssay Description:Inhibition of IKKbeta (unknown origin) assessed as substrate phosphorylation using IkappaBalpha as substrate incubated for 1 hr in presence of ATP by...More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...More 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
TargetMitogen-activated protein kinase kinase kinase 8(Human)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 2.37E+3nMAssay Description:Inhibition of human recombinant COT expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 2.48E+3nMAssay Description:Inhibition of human recombinant aurora-A expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation countingMore data for this Ligand-Target Pair
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
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

3D Structure (crystal)