BDBM50129126 (5E)-7-Oxozeaenol::CHEBI:67558::CHEMBL1801950::US10434085, Compound (5E)-7-oxozeaenol
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-ULSULSEOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human)) | BDBM50129126 ((5E)-7-Oxozeaenol | CHEBI:67558 | CHEMBL1801950 | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Greensboro US Patent | Assay Description The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi... | US Patent US10434085 (2019) BindingDB Entry DOI: 10.7270/Q2SB483C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human)) | BDBM50129126 ((5E)-7-Oxozeaenol | CHEBI:67558 | CHEMBL1801950 | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 1.30E+3 | 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) |