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  6 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50073654   

TargetMacrophage migration inhibitory factor(Human)
University of Otago

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMed
TargetMacrophage migration inhibitory factor(Human)
University of Otago

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
Affinity DataIC50: 400nMAssay Description:Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2016
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Alma Mater Studiorum-University of Bologna

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of EGFR-TK in human A431 cell lysate assessed as reduction in EGF stimulated kinase activity after 60 mins using biotinylated peptide subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/12/2017
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
9/13/2018
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
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
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
Affinity DataEC50:  879nMAssay 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 Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetProtein-glutamine gamma-glutamyltransferase 2(Human)
University of Ottawa

Curated by ChEMBL
LigandPNGBDBM50073654(CHEBI:47807 | 4-(Methylsulfinyl)Butyl Isothiocyana...)
Affinity DataKi:  3.66E+5nMAssay Description:Irreversible inhibition of human recombinant tissue transglutaminase expressed in Escherichia coli using Cbz-Glu-(gamma-p-nitrophenylester)Gly (AL5) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed