BDBM50085541 (E)-3,5-dihydroxy-4'-methoxystilbene::13E-3,5-dihydroxy-4'-methoxystilbene::3,5-dihydroxy-4'-methoxystilbene::5-(4-methoxystyryl)benzene-1,3-diol::5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol::5-[2-((E)-4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol::5-[2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol::CHEMBL291501::E 5-[2-(4-Methoxy-phenyl)-vinyl]-benzene-1,3-diol::trans-3,5-dihydroxy-4'-methoxystilbene
SMILES: COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
InChI Key: InChIKey=IHVRWFJGOIWMGC-NSCUHMNNSA-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 |
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Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50085541 ((E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50085541 ((E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50085541 ((E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dih...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of COX1 | Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50085541 ((E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dih...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of COX2 | Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR | |||||||||||
More data for this Ligand-Target Pair |