BindingDB PrimarySearch

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: 15 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50042034
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7) (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of MAP2K7 (unknown origin) using unphosphorylated GST-tagged JNK1 substrate protein assessed as phosphorylation by ELISA				Bioorg Med Chem Lett 25: 593-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.011 BindingDB Entry DOI: 10.7270/Q28W3FXP
Osaka Prefecture University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assay				Eur J Med Chem 163: 660-670 (2019) Article DOI: 10.1016/j.ejmech.2018.12.025
Chung-Ang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) using FITC-labeled substrate peptide assessed as phosphorylation				Bioorg Med Chem Lett 25: 593-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.011 BindingDB Entry DOI: 10.7270/Q28W3FXP
Osaka Prefecture University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of MAP2K1 (unknown origin) using unphosphorylated GST-tagged ERK2 substrate protein assessed as phosphorylation by ELISA				Bioorg Med Chem Lett 25: 593-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.011 BindingDB Entry DOI: 10.7270/Q28W3FXP
Osaka Prefecture University Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin)				Bioorg Med Chem 23: 6993-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TNS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay 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...				Bioorg Med Chem 23: 6993-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TNS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay				Bioorg Med Chem Lett 21: 1724-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.077 BindingDB Entry DOI: 10.7270/Q2988794
Myrexis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co,. Ltd Curated by ChEMBL					Assay Description Inhibition of full length TAK1 (unknown origin) fused with TAB1 using biotin-MKK6 as substrate by AlphaScreen assay				Bioorg Med Chem 24: 4206-4217 (2016) BindingDB Entry DOI: 10.7270/Q2JM2CKQ
Chugai Pharmaceutical Co,. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	738	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay 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 assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
Dana-Farber Cancer Institute Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase A-2-activating protein (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of TNFalpha-PLAP (unknown origin)				J Med Chem 60: 839-885 (2017) Article DOI: 10.1021/acs.jmedchem.6b00788 BindingDB Entry DOI: 10.7270/Q2JW8H9T
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assay				Eur J Med Chem 163: 660-670 (2019) Article DOI: 10.1016/j.ejmech.2018.12.025
Chung-Ang University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol \| 5Z-7-Oxozeaenol \| CHEBI:67559 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) using unphosphorylated GST-tagged MAP2K7 substrate protein assessed as phosphorylation by ELISA				Bioorg Med Chem Lett 25: 593-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.011 BindingDB Entry DOI: 10.7270/Q28W3FXP
Osaka Prefecture University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)