ChEMBL ligand: CHEMBL10878 (Agomelatine, S20098, S-20098, Thymanax, Valdoxan)
MT1 receptor/Melatonin receptor 1A in Human [ChEMBL: CHEMBL1945] [GtoPdb: 287] [UniProtKB: P48039] There should be some charts here, you may need to enable JavaScript!
MT2 receptor/Melatonin receptor 1B in Human [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286] There should be some charts here, you may need to enable JavaScript!
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] There should be some charts here, you may need to enable JavaScript!
5-HT2A receptor in Human [GtoPdb: 6] [UniProtKB: P28223] There should be some charts here, you may need to enable JavaScript!
5-HT2B receptor in Human [GtoPdb: 7] [UniProtKB: P41595] There should be some charts here, you may need to enable JavaScript!

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 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 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]