BDBM50342426 4-methoxy-4-oxobut-2-enoic acid::CHEMBL589586::methyl fumarate

SMILES COC(=O)\C=C\C(O)=O

InChI Key InChIKey=NKHAVTQWNUWKEO-UHFFFAOYSA-N

Data  1 KI  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342426   

TargetNuclear factor erythroid 2-related factor 2(Human)
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50342426(4-methoxy-4-oxobut-2-enoic acid | methyl fumarate ...)
Affinity DataEC50:  1.27E+5nMAssay Description:Activation of Nrf2 in human PathHunter U2OS Keap1-Nrf2 cells assessed as Nrf2 nuclear translocation by chemiluminescent assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50342426(4-methoxy-4-oxobut-2-enoic acid | methyl fumarate ...)
Affinity DataEC50: >1.00E+4nMAssay Description:Activation of Nrf2 in human U2OS cells co-expressing Keap1 assessed as induction of Nrf2 nuclear translocation incubated for 6 hrs by PathHunter chem...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetHydroxycarboxylic acid receptor 2(Human)
Leiden University

Curated by ChEMBL
LigandPNGBDBM50342426(4-methoxy-4-oxobut-2-enoic acid | methyl fumarate ...)
Affinity DataKi:  180nMAssay Description:Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)