BDBM50073654 4-(Methylsulfinyl)Butyl Isothiocyanate::CHEBI:47807::SULFORAPHANE

SMILES C[S+]([O-])CCCCN=C=S

InChI Key InChIKey=SUVMJBTUFCVSAD-UHFFFAOYSA-N

Data  1 KI  5 IC50  1 Kd  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50073654   

TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataEC50:  1.20E+3nMAssay Description:Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataEC50:  580nMAssay Description:Activation of ED-tagged Nrf2 in human U2OS cells co-expressing Keap1 assessed as induction of NRF2 translocation to nucleus after 6 hrs by beta-galac...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataEC50:  1.91E+4nMAssay Description:Induction of Nrf2-mediated ARE activity in human HepG2-ARE-C8 cells after 12 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataEC50:  580nMAssay Description:Activation of NRF2 in human U2OS cells co-expressing Keap1 assessed as induction of NRF2 translocation to nucleus after 6 hrs by beta-galactosidase b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataIC50: <1.00E+5nMAssay Description:Binding affinity to FLAG/His-tagged Keap1 (unknown origin)/biotinylated full-length FLAG/His/Tev/Avi-tagged NRF2 (unknown origin) expressed in baculo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataKd: >1.00E+4nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) interaction measured after 60 mins by Fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University Of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Affinity DataEC50:  870nMAssay Description:Activation of NRF2 in human U2OS cells co-expressing Keap1 (unknown origin) assessed as induction of NRF2 translocation to nucleus incubated for 6 hr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed