BDBM43491 (3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrahydropyran-4-one::(3E,5E)-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]-4-oxanone::(3E,5E)-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]oxan-4-one::3,5-di(3,4,5-trimethoxybenzylidene)tetrahydro-2H-pyran-4-one::MLS000860258::SMR000461037::cid_5703458
SMILES: COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
InChI Key: InChIKey=WDUOPQZLRWPGTF-ZEELXFFVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21J984Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.48E+5 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KW5DG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2G73C3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lymphocyte antigen 96 (Homo sapiens (Human)) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.11E+4 | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical University Curated by ChEMBL | Assay Description Binding affinity to recombinant human MD2 by SPR analysis | Eur J Med Chem 148: 291-305 (2018) Article DOI: 10.1016/j.ejmech.2018.02.008 BindingDB Entry DOI: 10.7270/Q23X897R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hsf1 protein (Mus musculus) | BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.95E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
More data for this Ligand-Target Pair |