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] |
ChEMBL | Antagonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as desensitization by measuring inhibition of allyl isothiocyanate induced intracellular calcium accumulation preincubated for 5 mins followed by allyl isothiocyanate stimulation by Fluo4-AM based assay | B | 5.77 | pIC50 | 1710 | nM | IC50 | J Med Chem (2023) 66: 6994-7015 [PMID:37192374] |
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 | Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium accumulation by Fluo4-AM based assay | B | 5.85 | pEC50 | 1410 | nM | EC50 | J Med Chem (2023) 66: 6994-7015 [PMID:37192374] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]