null

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

InChI Key InChIKey=SUVMJBTUFCVSAD-UHFFFAOYSA-N

  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 12 hits for monomerid = 50073654   

TargetProtein-glutamine gamma-glutamyltransferase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
Affinity DataKi:  3.66E+5nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7PubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V126J4PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Alma Mater Studiorum-University of Bologna

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V126QCPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23T9KDNPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q22B928HPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2Z322KJPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2TT4V8SPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2GF0XSXPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23T9N1JPubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7PubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
University of New Mexico

Curated by ChEMBL
LigandPNGBDBM50073654(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26976TGPubMed