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-UHFFFAOYSA-N

Data  3 IC50  1 Kd  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 43491   

LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataEC50:  1.82E+5nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataEC50:  6.48E+5nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataEC50:  220nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataIC50: 2.11E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataIC50: 2.11E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataIC50: 910nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetLymphocyte antigen 96(Human)
Wenzhou Medical University

Curated by ChEMBL
LigandPNGBDBM43491(MLS000860258 | 3,5-di(3,4,5-trimethoxybenzylidene)...)
Affinity DataKd:  7.11E+4nMAssay Description:Binding affinity to recombinant human MD2 by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed