BDBM50042034 (5Z)-7-Oxozeaenol::5Z-7-Oxozeaenol::CHEBI:67559::CHEMBL1077979

SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O

InChI Key InChIKey=NEQZWEXWOFPKOT-BYRRXHGESA-N

Data  16 IC50  1 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50042034   

TargetDual specificity mitogen-activated protein kinase kinase 7(Homo sapiens (Human))
Osaka Prefecture University

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of MAP2K7 (unknown origin) using unphosphorylated GST-tagged JNK1 substrate protein assessed as phosphorylation by ELISAMore data for this Ligand-Target Pair
TargetBMP-2-inducible protein kinase(Homo sapiens (Human))
Centro De Investigaciones Biol�Gicas Margarita Salas (Csic)

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataKd:  3.80nMAssay Description:Binding affinity to BIKE (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Osaka Prefecture University

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  6.80E+3nMAssay Description:Inhibition of ERK2 (unknown origin) using FITC-labeled substrate peptide assessed as phosphorylationMore data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Osaka Prefecture University

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  80nMAssay Description:Inhibition of MAP2K1 (unknown origin) using unphosphorylated GST-tagged ERK2 substrate protein assessed as phosphorylation by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of TAK1 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  8.10nMAssay Description:Inhibition of TAK1 (unknown origin) expressed in sf9 cells assessed as 32P level incorporation into myelin basic protein incubated for 5 mins at 30 d...More data for this Ligand-Target Pair
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  8nMAssay Description:Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  9nMAssay Description:Inhibition of full length TAK1 (unknown origin) fused with TAB1 using biotin-MKK6 as substrate by AlphaScreen assayMore data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Osaka Prefecture University

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Osaka Prefecture University

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  738nMAssay Description:Inhibition of full length recombinant human GST-tagged ERK2 expressed in Escherichia coli using Ser/Thr 03 as substrate after 1 hr by Z'-Lyte assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  5.60nMAssay Description:Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  5.60nMAssay Description:Inhibition of TAK1 (unknown origin) by LanthaScreen assayMore data for this Ligand-Target Pair
TargetPhospholipase A-2-activating protein(Homo sapiens (Human))
University Of Pittsburgh

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  11nMAssay Description:Inhibition of TNFalpha-PLAP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  9nMAssay Description:Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assayMore data for this Ligand-Target Pair
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  9nMAssay Description:Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assayMore data for this Ligand-Target Pair
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  9nMAssay Description:Inhibition of Tak1/Tab1 (unknown origin) assessed as inhibition of Tak1 kinase activity preincubated for 30 mins followed by addition of MBP protein ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
University Of North Carolina At Greensboro

Curated by ChEMBL
LigandPNGBDBM50042034((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Affinity DataIC50:  80nMAssay Description:Inhibition of TAK1 (unknown origin) using unphosphorylated GST-tagged MAP2K7 substrate protein assessed as phosphorylation by ELISAMore data for this Ligand-Target Pair