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ChEMBL ligand: CHEMBL10878 (Agomelatine, S20098, S-20098, Thymanax, Valdoxan) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 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 | 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 | 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 | 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 | 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 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 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 by [35S]GTPgamma binding assay | F | 10 | pEC50 | 0.1 | nM | EC50 | Bioorg Med Chem (2010) 18: 3426-3436 [PMID:20444610] |
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 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 32:
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]