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

Data  24 KI  87 IC50  1 Kd  5 EC50  1 Koff  1 Kon

PDB links: 3 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 4078   

TargetCasein kinase II subunit alpha(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  20nMAssay Description:Inhibition of CK2alpha (unknown origin)More data for this Ligand-Target Pair
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Yale University

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  2.18E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  2.32E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Catholic University of Daegu

LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Cavia porcellus (Guinea pig))
Kermanshah University of Medical Sciences

LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  6.32E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  7.06E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  7.59E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  8.91E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  9.08E+3nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  9.37E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  1.01E+4nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  1.03E+4nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  1.05E+4nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Affinity DataKi:  1.27E+4nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4078(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
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
In DepthDetails ArticlePubMed