saxitoxin [Ligand Id: 2625] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL501134 (Saxitoxin) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Nav1.1/Sodium channel protein type I alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1845] [GtoPdb: 578] [UniProtKB: P35498] | ||||||||
| ChEMBL | Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assay | B | 8.64 | pIC50 | 2.3 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.2/Sodium channel protein type II alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4187] [GtoPdb: 579] [UniProtKB: Q99250] | ||||||||
| ChEMBL | Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assay | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.2 in Rat [GtoPdb: 579] [UniProtKB: P04775] | ||||||||
| GtoPdb | - | - | 8.8 | pIC50 | 1.7 | nM | IC50 | Nature (2005) 434: 763-7 [PMID:15815630] |
| Nav1.3/Sodium channel protein type III alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5163] [GtoPdb: 580] [UniProtKB: Q9NY46] | ||||||||
| ChEMBL | Inhibition of human Nav1.3 expressed in HEK293 cells by electrophysiology assay | B | 7.89 | pIC50 | 13 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.4/Sodium channel protein type IV alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2072] [GtoPdb: 581] [UniProtKB: P35499] | ||||||||
| ChEMBL | Binding Assay: In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the nitrogen. Two mutant channels were also constructed by site-directed mutagenesis. The β-STXo1 data points were collected to demonstrate that STX and its derivatives were oriented similarly within the channel pore. The similar reductions in affinity for STX to β-STXo1 and for cyclohexyl STX to cyclohexyl β-STXo1 provide strong initial evidence that the two molecules both reside in a similar orientation in the channel pore. | B | 7.05 | pIC50 | 90 | nM | IC50 | US-9174999-B2. Methods and compositions for studying, imaging, and treating pain (2015) |
| ChEMBL | Binding Assay: In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the nitrogen. Two mutant channels were also constructed by site-directed mutagenesis. The β-STXo1 data points were collected to demonstrate that STX and its derivatives were oriented similarly within the channel pore. The similar reductions in affinity for STX to β-STXo1 and for cyclohexyl STX to cyclohexyl β-STXo1 provide strong initial evidence that the two molecules both reside in a similar orientation in the channel pore. | B | 7.52 | pIC50 | 30 | nM | IC50 | US-9174999-B2. Methods and compositions for studying, imaging, and treating pain (2015) |
| ChEMBL | Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay | B | 7.72 | pIC50 | 19 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.4/Sodium channel protein type IV alpha subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3509] [GtoPdb: 581] [UniProtKB: P15390] | ||||||||
| GtoPdb | - | - | 8.4 | pIC50 | 4.1 | nM | IC50 | Biophys J (2001) 80: 698-706 [PMID:11159437] |
| ChEMBL | Binding Assay: In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the nitrogen. Two mutant channels were also constructed by site-directed mutagenesis. The β-STXo1 data points were collected to demonstrate that STX and its derivatives were oriented similarly within the channel pore. The similar reductions in affinity for STX to β-STXo1 and for cyclohexyl STX to cyclohexyl β-STXo1 provide strong initial evidence that the two molecules both reside in a similar orientation in the channel pore. | B | 8.62 | pIC50 | 2.4 | nM | IC50 | US-9174999-B2. Methods and compositions for studying, imaging, and treating pain (2015) |
| Nav1.7/Sodium channel protein type IX alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296] [GtoPdb: 584] [UniProtKB: Q15858] | ||||||||
| ChEMBL | Inhibition of human Nav1.7 expressed in CHO cells at holding potential of -100 mV by patch-clamp electrophysiology method | B | 6.15 | pIC50 | 702 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3141-3149 [PMID:30139550] |
| GtoPdb | - | - | 6.2 | pIC50 | 702 | nM | IC50 | Proc Natl Acad Sci USA (2012) 109: 18102-7 [PMID:23077250] |
| Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of human Nav1.5 expressed in HEK293 cells by electrophysiology assay | B | 6.68 | pIC50 | 210 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.5 in Rat [GtoPdb: 582] [UniProtKB: P15389] | ||||||||
| GtoPdb | - | - | 7.4 | pKd | - | - | - |
Am J Physiol (1996) 270: C1522-31 [PMID:8967455]; FEBS Lett (1990) 275: 195-200 [PMID:2175715] |
| Sodium channel protein type VII alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3585] [UniProtKB: Q01118] | ||||||||
| ChEMBL | Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay | B | 6.39 | pIC50 | 410 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.6/Sodium channel protein type VIII alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5202] [GtoPdb: 583] [UniProtKB: Q9UQD0] | ||||||||
| ChEMBL | Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.8/Sodium channel protein type X alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5451] [GtoPdb: 585] [UniProtKB: Q9Y5Y9] | ||||||||
| ChEMBL | Inhibition of human Nav1.8 expressed in HEK293 cells by electrophysiology assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
| Nav1.9/Sodium channel protein type XI alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5167] [GtoPdb: 586] [UniProtKB: Q9UI33] | ||||||||
| ChEMBL | Inhibition of human Nav1.9 expressed in HEK293 cells by electrophysiology assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 8695-8710 [PMID:31012583] |
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]
