BDBM50424958 CHEMBL2316157::US9409845, Table 1, Compound 18: (2E,6E)-2,6-(3,5-dimethoxybenzylidene)-6-(3,5-dimethoxybenzylidene)cyclohexanone
SMILES: COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cc(OC)cc(OC)c3)C2=O)c1
InChI Key: InChIKey=LCTMHSXNDBNPAF-GCBPPVMSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50424958 (CHEMBL2316157 | US9409845, Table 1, Compound 18: (...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
PHARMAXYN LABORATORIES LTD. US Patent | Assay Description The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T... | US Patent US9409845 (2016) BindingDB Entry DOI: 10.7270/Q25M64MC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human)) | BDBM50424958 (CHEMBL2316157 | US9409845, Table 1, Compound 18: (...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a |
University of New Mexico Curated by ChEMBL | Assay Description Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay | Eur J Med Chem 143: 854-865 (2018) Article DOI: 10.1016/j.ejmech.2017.11.048 BindingDB Entry DOI: 10.7270/Q2QC0629 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50424958 (CHEMBL2316157 | US9409845, Table 1, Compound 18: (...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Soochow University Curated by ChEMBL | Assay Description Inhibition of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphory... | Bioorg Med Chem 21: 388-94 (2012) Article DOI: 10.1016/j.bmc.2012.11.031 BindingDB Entry DOI: 10.7270/Q2SJ1MX6 | |||||||||||
More data for this Ligand-Target Pair |