agomelatine [Ligand Id: 198] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL10878 (Agomelatine, S-20098, S20098, Thymanax, Valdoxan) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| MT1 receptor/Melatonin receptor 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1945] [GtoPdb: 287] [UniProtKB: P48039] | ||||||||
| ChEMBL | Binding affinity for human melatonin receptor type 1A, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand) | B | 9.74 | pKi | 0.18 | nM | Ki | J Med Chem (2000) 43: 4051-4062 [PMID:11063602] |
| ChEMBL | Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins | B | 9.92 | pKi | 0.12 | nM | Ki | Medchemcomm (2014) 5: 1303-1308 |
| ChEMBL | Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cells incubated for 120 mins by radioligand binding assay | B | 9.92 | pKi | 0.12 | nM | Ki | Eur J Med Chem (2020) 189: 112078-112078 [PMID:32004937] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins | B | 9.92 | pKi | 0.12 | nM | Ki | Eur J Med Chem (2016) 109: 360-370 [PMID:26820449] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins | B | 10 | pKi | 0.1 | nM | Ki | Eur J Med Chem (2017) 127: 621-631 [PMID:28131094] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method | B | 10 | pKi | 0.1 | nM | Ki | Eur J Med Chem (2017) 141: 552-566 [PMID:29102176] |
| ChEMBL | Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting | B | 10 | pKi | 0.1 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 430-434 [PMID:23265885] |
| ChEMBL | Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand | B | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (2003) 46: 1127-1129 [PMID:12646022] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells | B | 10.22 | pKi | 0.06 | nM | Ki | Bioorg Med Chem (2008) 16: 8339-8348 [PMID:18778943] |
| GtoPdb | - | - | 10.4 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2003) 367: 553-61 [PMID:12764576]; J Pharmacol Exp Ther (1998) 285: 1239-45 [PMID:9618428] |
| ChEMBL | Agonist activity at human MT1 receptor transfected in HEK293T cells co-transfected with tet-inducible luciferase reporter plasmid, pCDNA3.1(+)-CMV-betaArrestin2-tev plasmid and TANGO plasmid assessed as tango arrestin recruitment incubated for 24 hrs by TANGO-GPCR assay based luminescence plate reader analysis | F | 4.58 | pEC50 | 26500 | nM | EC50 | RSC Med Chem (2022) 13: 1212-1224 [PMID:36325395] |
| ChEMBL | Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay | F | 8.8 | pEC50 | 1.6 | nM | EC50 | Bioorg Med Chem (2010) 18: 3426-3436 [PMID:20444610] |
| ChEMBL | Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1A | F | 8.81 | pEC50 | 1.56 | nM | EC50 | J Med Chem (2003) 46: 1127-1129 [PMID:12646022] |
| ChEMBL | Agonist activity at human MT1 expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay | F | 8.81 | pEC50 | 1.56 | nM | EC50 | Eur J Med Chem (2020) 189: 112078-112078 [PMID:32004937] |
| ChEMBL | Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay | F | 8.85 | pEC50 | 1.4 | nM | EC50 | Eur J Med Chem (2017) 141: 552-566 [PMID:29102176] |
| ChEMBL | Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay | F | 8.85 | pEC50 | 1.4 | nM | EC50 | Eur J Med Chem (2016) 109: 360-370 [PMID:26820449] |
| ChEMBL | Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay | F | 8.85 | pEC50 | 1.4 | nM | EC50 | Eur J Med Chem (2017) 127: 621-631 [PMID:28131094] |
| ChEMBL | Agonist activity at human MT1 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay | F | 9.7 | pEC50 | 0.2 | nM | EC50 | Medchemcomm (2014) 5: 1303-1308 |
| MT2 receptor/Melatonin receptor 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286] | ||||||||
| ChEMBL | Binding affinity for melatonin receptor type 1B, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand) | B | 9.35 | pKi | 0.45 | nM | Ki | J Med Chem (2000) 43: 4051-4062 [PMID:11063602] |
| ChEMBL | Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins | B | 9.42 | pKi | 0.38 | nM | Ki | Medchemcomm (2014) 5: 1303-1308 |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells | B | 9.57 | pKi | 0.27 | nM | Ki | Bioorg Med Chem (2008) 16: 8339-8348 [PMID:18778943] |
| ChEMBL | Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand | B | 9.57 | pKi | 0.27 | nM | Ki | J Med Chem (2003) 46: 1127-1129 [PMID:12646022] |
| ChEMBL | Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cells incubated for 120 mins by radioligand binding assay | B | 9.68 | pKi | 0.21 | nM | Ki | Eur J Med Chem (2020) 189: 112078-112078 [PMID:32004937] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins | B | 9.68 | pKi | 0.21 | nM | Ki | Eur J Med Chem (2016) 109: 360-370 [PMID:26820449] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins | B | 9.7 | pKi | 0.2 | nM | Ki | Eur J Med Chem (2017) 127: 621-631 [PMID:28131094] |
| ChEMBL | Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method | B | 9.7 | pKi | 0.2 | nM | Ki | Eur J Med Chem (2017) 141: 552-566 [PMID:29102176] |
| ChEMBL | Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting | B | 10 | pKi | 0.1 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 430-434 [PMID:23265885] |
| GtoPdb | - | - | 10.5 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2003) 367: 553-61 [PMID:12764576]; J Pharmacol Exp Ther (1998) 285: 1239-45 [PMID:9618428] |
| ChEMBL | Agonist activity at human MT2 receptor transfected in HEK293T cells co-transfected with tet-inducible luciferase reporter plasmid, pCDNA3.1(+)-CMV-betaArrestin2-tev plasmid and TANGO plasmid assessed as relative luminescence unit incubated for 24 hrs by TANGO-GPCR assay based luminescence plate reader analysis | F | 4.05 | pEC50 | 88900 | nM | EC50 | RSC Med Chem (2022) 13: 1212-1224 [PMID:36325395] |
| ChEMBL | Agonist activity at human MT2 expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay | F | 9.68 | pEC50 | 0.21 | nM | EC50 | Eur J Med Chem (2020) 189: 112078-112078 [PMID:32004937] |
| ChEMBL | Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay | F | 9.74 | pEC50 | 0.18 | nM | EC50 | Eur J Med Chem (2017) 127: 621-631 [PMID:28131094] |
| ChEMBL | Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay | F | 9.74 | pEC50 | 0.18 | nM | EC50 | Eur J Med Chem (2016) 109: 360-370 [PMID:26820449] |
| ChEMBL | Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay | F | 9.74 | pEC50 | 0.18 | nM | EC50 | Eur J Med Chem (2017) 141: 552-566 [PMID:29102176] |
| ChEMBL | Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay | F | 10 | pEC50 | 0.1 | nM | EC50 | Bioorg Med Chem (2008) 16: 8339-8348 [PMID:18778943] |
| ChEMBL | Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay | F | 10 | pEC50 | 0.1 | nM | EC50 | Bioorg Med Chem (2010) 18: 3426-3436 [PMID:20444610] |
| ChEMBL | Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1B | F | 10 | pEC50 | 0.1 | nM | EC50 | J Med Chem (2003) 46: 1127-1129 [PMID:12646022] |
| ChEMBL | Agonist activity at human MT2 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay | F | 10.16 | pEC50 | 0.07 | nM | EC50 | Medchemcomm (2014) 5: 1303-1308 |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 60 mins | B | 6.15 | pKi | 708 | nM | Ki | Eur J Med Chem (2012) 49: 310-323 [PMID:22301214] |
| ChEMBL | Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting method | B | 6.15 | pKi | 708 | nM | Ki | Eur J Med Chem (2017) 141: 552-566 [PMID:29102176] |
| ChEMBL | Displacement of [3H]mesulergine from human 5HT2C (VSV) receptor expressed in CHO cell membranes after 60 mins by scintillation counting method | B | 6.15 | pKi | 707.95 | nM | Ki | Medchemcomm (2014) 5: 1303-1308 |
| GtoPdb | - | - | 6.2 | pKi | - | - | - | J Pharmacol Exp Ther (2003) 306: 954-64 [PMID:12750432] |
| ChEMBL | Binding affinity to 5-HT2C receptor (unknown origin) | B | 6.2 | pKi | 630 | nM | Ki | Eur J Med Chem (2016) 109: 360-370 [PMID:26820449] |
| 5-HT2A receptor in Human [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| GtoPdb | - | - | 5.4 | pKi | - | - | - | J Pharmacol Exp Ther (2003) 306: 954-64 [PMID:12750432] |
| 5-HT2B receptor in Human [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| GtoPdb | - | - | 6.6 | pKi | - | - | - | J Pharmacol Exp Ther (2003) 306: 954-64 [PMID:12750432] |
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]
