allyl isothiocyanate [Ligand Id: 2420] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL233248 (Allyl isothiocyanate, Allyl isothiocyanate, stabilized, FEMA NO. 2034, Mustard oil, NSC-5572, Oil, mustard, Oil,mustard) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2085] [UniProtKB: P14174] | ||||||||
| ChEMBL | Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome methyl ester as substrate incubated for 5 mins prior to substrate addition measured for 2 mins by spectrophotometric analysis | B | 5.96 | pIC50 | 1100 | nM | IC50 | Eur J Med Chem (2015) 93: 501-510 [PMID:25743213] |
| ChEMBL | Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incubated for 30 mins prior to substrate addition measured for 2 mins by spectrophotometric analysis | B | 6.6 | pIC50 | 250 | nM | IC50 | Eur J Med Chem (2015) 93: 501-510 [PMID:25743213] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
| GtoPdb | - | - | 4.2 | pEC50 | 63100 | nM | EC50 | Proc Natl Acad Sci USA (2006) 103: 19564-8 [PMID:17164327] |
| ChEMBL | Activation of TRPA1 | B | 4.47 | pEC50 | 33500 | nM | EC50 | Nature (2007) 445: 541-545 [PMID:17237762] |
| ChEMBL | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -75 mV holding potential by patch-clamp electrophysiology | F | 4.65 | pEC50 | 22387.21 | nM | EC50 | J Med Chem (2010) 53: 7011-7020 [PMID:20806939] |
| ChEMBL | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -30 mV holding potential by patch-clamp electrophysiology | F | 4.92 | pEC50 | 12022.64 | nM | EC50 | J Med Chem (2010) 53: 7011-7020 [PMID:20806939] |
| ChEMBL | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at 75 mV holding potential by patch-clamp electrophysiology | F | 4.98 | pEC50 | 10471.29 | nM | EC50 | J Med Chem (2010) 53: 7011-7020 [PMID:20806939] |
| ChEMBL | Agonist activity at TRPA1 (unknown origin) | B | 5.09 | pEC50 | 8120 | nM | EC50 | Bioorg Med Chem Lett (2020) 30: 127142-127142 [PMID:32249116] |
| ChEMBL | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as time point of maximal current amplitude by patch-clamp electrophysiology | F | 5.24 | pEC50 | 5754.4 | nM | EC50 | J Med Chem (2010) 53: 7011-7020 [PMID:20806939] |
| ChEMBL | Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay | B | 5.36 | pEC50 | 4365.16 | nM | EC50 | Eur J Med Chem (2019) 170: 141-156 [PMID:30878828] |
| ChEMBL | Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay | B | 5.4 | pEC50 | 4000 | nM | EC50 | Eur J Med Chem (2019) 170: 141-156 [PMID:30878828] |
| ChEMBL | Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis | B | 5.41 | pEC50 | 3900 | nM | EC50 | J Nat Prod (2016) 79: 697-703 [PMID:26905390] |
| ChEMBL | Activation of TRPA1 channel | B | 5.72 | pEC50 | 1900 | nM | EC50 | J Med Chem (2010) 53: 5085-5107 [PMID:20356305] |
| ChEMBL | Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence analysis | F | 5.95 | pEC50 | 1120 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 4857-4859 [PMID:21741838] |
| ChEMBL | Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay | B | 6.24 | pEC50 | 580 | nM | EC50 | J Nat Prod (2015) 78: 1937-1941 [PMID:26263397] |
| ChEMBL | Agonist activity at TRPA1 isolated from human W138 cells expressed in HEK293T cells assessed as intracellular Ca2+ influx by Fluo-4 AM staining-based fluorescence analysis | B | 6.3 | pEC50 | 500 | nM | EC50 | J Nat Prod (2014) 77: 285-297 [PMID:24484240] |
| ChEMBL | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay | F | 6.4 | pEC50 | 398 | nM | EC50 | J Med Chem (2010) 53: 7011-7020 [PMID:20806939] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075310] [GtoPdb: 485] [UniProtKB: Q8BLA8] | ||||||||
| ChEMBL | Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by Fluo-3 based FLIPR analysis | B | 4.66 | pEC50 | 22000 | nM | EC50 | Eur J Med Chem (2019) 170: 141-156 [PMID:30878828] |
| GtoPdb | - | - | 4.7 | pEC50 | - | - | - | Neuron (2004) 41: 849-57 [PMID:15046718] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5160] [GtoPdb: 485] [UniProtKB: Q6RI86] | ||||||||
| ChEMBL | Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins before capsaicin addition by Fluo-4 dye based assay | B | 4.07 | pIC50 | 85900 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1009-1011 [PMID:25666822] |
| GtoPdb | - | - | 5 | pEC50 | - | - | - | Nature (2004) 427: 260-5 [PMID:14712238] |
| ChEMBL | Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence analysis | F | 5.24 | pEC50 | 5813 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 4857-4859 [PMID:21741838] |
| ChEMBL | Agonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry | F | 5.6 | pEC50 | 2500 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 1674-1677 [PMID:22257892] |
| ChEMBL | Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as Ca2+ influx by Fluo-4 dye based assay | B | 5.7 | pEC50 | 2000 | nM | EC50 | Bioorg Med Chem Lett (2015) 25: 1009-1011 [PMID:25666822] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
