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] |
| ChEMBL | Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology recording | B | 8.72 | pIC50 | 1.9 | nM | IC50 | ACS Med Chem Lett (2022) 13: 1763-1768 [PMID:36385936] |
| 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] |
| ChEMBL | Inhibition of human Nav1.7 expressed in CHO cells at -100 mV holding potential by electrophysiology whole cell patch clamp technique | B | 6.15 | pIC50 | 702 | nM | IC50 | ACS Med Chem Lett (2022) 13: 1763-1768 [PMID:36385936] |
| 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 35:
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]
