BDBM50203072 3-isothiocyanatoprop-1-ene::Allyl isothiocyanate::Allylisothiocyanate::CHEMBL233248

SMILES C=CCN=C=S

InChI Key InChIKey=ZOJBYZNEUISWFT-UHFFFAOYSA-N

Data  3 IC50  20 EC50

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 23 hits for monomerid = 50203072   

TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  398nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  8.12E+3nMAssay Description:Agonist activity at TRPA1 (unknown origin)More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  5.75E+3nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as time point of maximal current amplitude by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  2.24E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -75 mV holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  1.12E+3nMAssay Description:Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...More data for this Ligand-Target Pair
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataIC50: 250nMAssay 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
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
University of Otago

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataIC50: 1.10E+3nMAssay 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
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  58nMAssay Description:Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  16nMAssay Description:Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Rattus norvegicus)
Universit£ del Piemonte Orientale

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  2.00E+3nMAssay Description:Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as Ca2+ influx by Fluo-4 dye based assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Rattus norvegicus)
Universit£ del Piemonte Orientale

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataIC50: 8.59E+4nMAssay Description:Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins bef...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Rattus norvegicus)
Universit£ del Piemonte Orientale

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  5.81E+3nMAssay Description:Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Rattus norvegicus)
Universit£ del Piemonte Orientale

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  2.50E+3nMAssay Description:Agonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetryMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  500nMAssay Description:Agonist activity at TRPA1 isolated from human W138 cells expressed in HEK293T cells assessed as intracellular Ca2+ influx by Fluo-4 AM staining-based...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  3.35E+4nMAssay Description:Activation of TRPA1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  1.05E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at 75 mV holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  1.90E+3nMAssay Description:Activation of TRPA1 channelMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  4.00E+3nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Mus musculus)
University of Hull

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  2.20E+4nMAssay Description:Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by Fluo-3 based FLIPR analysisMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  4.37E+3nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  3.90E+3nMAssay Description:Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysisMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  3.90E+3nMAssay Description:Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysisMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50203072(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Affinity DataEC50:  1.20E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -30 mV holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair