ChEMBL ligand: CHEMBL10878 (Agomelatina, Agomelatine, S-20098, S20098, Thymanax, Valdoxan)
5-HT2C receptor/5-hydroxytryptamine receptor 2C in Human [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] There should be some charts here, you may need to enable JavaScript!
MT1 receptor/Melatonin receptor type 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 type 1B in Human [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286] 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
5-HT2C receptor/5-hydroxytryptamine receptor 2C 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]
MT1 receptor/Melatonin receptor type 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1945] [GtoPdb: 287] [UniProtKB: P48039]
ChEMBL	Binding Assay: The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of the molecule to bind to the respective receptors. The Ki described in the results is the dissociation constant and measures the affinity of a non-radioactive test compound for the receptor. The IC50 shows the concentration of the substance required for achieving 50% inhibition of the receptors. Kd shows the affinity of the radio ligand to the receptor. Receptor inhibition is measured by the % of inhibition a binding specific control. Recombinant human cells (CHO-derived) and [1251]2-iodomelatonin compound labeling were used followed by incubation and detection at concentration of 0.01-0.05 nM by Scintillation Count, with Kd 0.04 nM and 0.085 nM, respectively. Incubation was performed for 60-120 min at 37° C.	B	9.7	pKi	0.2	nM	Ki	US-10781182-B2. Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders (2020)
ChEMBL	Binding Assay: The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of the molecule to bind to the respective receptors. The Ki described in the results is the dissociation constant and measures the affinity of a non-radioactive test compound for the receptor. The IC50 shows the concentration of the substance required for achieving 50% inhibition of the receptors. Kd shows the affinity of the radio ligand to the receptor. Receptor inhibition is measured by the % of inhibition a binding specific control. Recombinant human cells (CHO-derived) and [1251]2-iodomelatonin compound labeling were used followed by incubation and detection at concentration of 0.01-0.05 nM by Scintillation Count, with Kd 0.04 nM and 0.085 nM, respectively. Incubation was performed for 60-120 min at 37° C.	B	9.7	pKi	0.2	nM	Ki	US-11091445-B2. Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders (2021)
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-[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-[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 by filter binding method	B	10	pKi	0.1	nM	Ki	Eur J Med Chem (2017) 141: 552-566 [PMID:29102176]
ChEMBL	Binding affinity to human MT1 receptor expressed in HEK293 cells assessed as inhibition constant	B	10	pKi	0.1	nM	Ki	Eur J Med Chem (2023) 262: 115888-115888 [PMID:37866336]
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	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	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 type 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	Binding affinity to human MT2 receptor expressed in HEK293 cells assessed as inhibition constant	B	9.9	pKi	0.13	nM	Ki	Eur J Med Chem (2023) 262: 115888-115888 [PMID:37866336]
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]
ChEMBL	Binding Assay: The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of the molecule to bind to the respective receptors. The Ki described in the results is the dissociation constant and measures the affinity of a non-radioactive test compound for the receptor. The IC50 shows the concentration of the substance required for achieving 50% inhibition of the receptors. Kd shows the affinity of the radio ligand to the receptor. Receptor inhibition is measured by the % of inhibition a binding specific control. Recombinant human cells (CHO-derived) and [1251]2-iodomelatonin compound labeling were used followed by incubation and detection at concentration of 0.01-0.05 nM by Scintillation Count, with Kd 0.04 nM and 0.085 nM, respectively. Incubation was performed for 60-120 min at 37° C.	B	10.38	pKi	0.04	nM	Ki	US-11091445-B2. Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders (2021)
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-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 36:

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]