vortioxetine [Ligand Id: 7351] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2104993 (Brintellix, LU AA21004, LU-AA21004, LUAA21004, Vortioxetine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
| ChEMBL | Inhibition of human COX-1 by spectrophotometer analysis | B | 8.28 | pIC50 | 5.19 | nM | IC50 | Bioorg Med Chem (2020) 28: 115760-115760 [PMID:32992247] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of human COX-2 by spectrophotometer analysis | B | 8.51 | pIC50 | 3.11 | nM | IC50 | Bioorg Med Chem (2020) 28: 115760-115760 [PMID:32992247] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
| GtoPdb | - | - | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
| ChEMBL | Binding affinity to human 5-HT1A assessed as inhibition constant | B | 7.82 | pKi | 15 | nM | Ki | Bioorg Med Chem Lett (2021) 49: 128275-128275 [PMID:34311086] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method | B | 8.02 | pKi | 9.5 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 5420-5423 [PMID:29138029] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation counting method | B | 8.02 | pKi | 9.5 | nM | Ki | Eur J Med Chem (2018) 144: 701-715 [PMID:29291438] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counting method | B | 8.02 | pKi | 9.5 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126703-126703 [PMID:31627993] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counting method | B | 8.02 | pKi | 9.5 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126769-126769 [PMID:31699607] |
| 5-HT3A/Serotonin 3a (5-HT3a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098] | ||||||||
| ChEMBL | Binding affinity to human 5-HT3R assessed as inhibition constant | B | 8.43 | pKi | 3.7 | nM | Ki | Bioorg Med Chem Lett (2021) 49: 128275-128275 [PMID:34311086] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| GtoPdb | - | - | 6.35 | pKi | 450 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
| ChEMBL | Displacement of [3H]-LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method | B | 7.59 | pKi | 26 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 5420-5423 [PMID:29138029] |
| ChEMBL | Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting method | B | 7.59 | pKi | 26 | nM | Ki | Eur J Med Chem (2018) 144: 701-715 [PMID:29291438] |
| ChEMBL | Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method | B | 7.59 | pKi | 26 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126703-126703 [PMID:31627993] |
| ChEMBL | Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method | B | 7.59 | pKi | 26 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126769-126769 [PMID:31699607] |
| ChEMBL | Binding affinity to human 5-HT7R assessed as inhibition constant | B | 7.72 | pKi | 19 | nM | Ki | Bioorg Med Chem Lett (2021) 49: 128275-128275 [PMID:34311086] |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| ChEMBL | Binding affinity to human SERT assessed as inhibition constant | B | 8.8 | pKi | 1.6 | nM | Ki | Bioorg Med Chem Lett (2021) 49: 128275-128275 [PMID:34311086] |
| GtoPdb | - | - | 8.8 | pKi | 1.6 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Inhibition of SERT in rat brain synaptosomes assessed as reduction in [3H]-5-HT uptake measured after 15 mins by scintillation counting method | B | 8.54 | pIC50 | 2.9 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 5420-5423 [PMID:29138029] |
| ChEMBL | Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method | B | 8.54 | pIC50 | 2.9 | nM | IC50 | Eur J Med Chem (2018) 144: 701-715 [PMID:29291438] |
| ChEMBL | Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method | B | 8.54 | pIC50 | 2.9 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126703-126703 [PMID:31627993] |
| ChEMBL | Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method | B | 8.54 | pIC50 | 2.9 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126769-126769 [PMID:31699607] |
| 5-HT1B receptor in Human [GtoPdb: 2] [UniProtKB: P28222] | ||||||||
| GtoPdb | - | - | 7.48 | pKi | 33 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
| 5-HT1D receptor in Rat [GtoPdb: 3] [UniProtKB: P28565] | ||||||||
| GtoPdb | - | - | 5.4 | pIC50 | 4000 | nM | IC50 | J Med Chem (2004) 47: 4684-92 [PMID:15341484] |
| 5-HT5A receptor in Human [GtoPdb: 10] [UniProtKB: P47898] | ||||||||
| GtoPdb | - | - | 6.66 | pKi | 220 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
| 5-HT6 receptor in Human [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| GtoPdb | - | - | 6.48 | pKi | 330 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
| 5-HT3A in Human [GtoPdb: 379] | ||||||||
| GtoPdb | - | - | 8.43 | pKi | 3.7 | nM | Ki | J Med Chem (2011) 54: 3206-21 [PMID:21486038] |
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]
