ChEMBL ligand: CHEMBL45 (5-methoxy n-acetyl-tryptamine, BCI-049, Circadin, General nutrit, Health aid, Heidadouppi, Icenia, J5.258B, Life ext, Melapure, Melatol, Melatonin, Melatonine, Melovine, N-(2-(5-Methoxy-1H-Indol-3-Yl)Ethyl)Acetamide, N-Acetyl-5-Methoxytryptamine, Natrol, Nature's blend, Natures bounty, NSC-113928, NSC-302012, NSC-56423, Quality health, Regulin, S.gard, Tartrol, Travelag, Vespro, Vytalonin)
Acetylcholinesterase in Bovine [ChEMBL: CHEMBL4768] [UniProtKB: P23795] There should be some charts here, you may need to enable JavaScript!
Butyrylcholinesterase in Equus caballus [ChEMBL: CHEMBL5077] [UniProtKB: Q9N1N9] There should be some charts here, you may need to enable JavaScript!
CYP1B1/Cytochrome P450 1B1 in Human [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] There should be some charts here, you may need to enable JavaScript!
H3 receptor/Histamine H3 receptor in Human [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] There should be some charts here, you may need to enable JavaScript!
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!
Melatonin receptor 1B in Chicken [ChEMBL: CHEMBL4466] [UniProtKB: P51050] 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!
Melatonin receptor 1C in Xenopus laevis [ChEMBL: CHEMBL5495] [UniProtKB: P49219] There should be some charts here, you may need to enable JavaScript!
myeloperoxidase/Myeloperoxidase in Human [ChEMBL: CHEMBL2439] [GtoPdb: 2789] [UniProtKB: P05164] There should be some charts here, you may need to enable JavaScript!
Quinone reductase 2 in Human [ChEMBL: CHEMBL3959] [UniProtKB: P16083] 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
Acetylcholinesterase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4768] [UniProtKB: P23795]
ChEMBL	Inhibition of AchE from bovine erythrocytes	B	7	pIC50	>100	nM	IC50	J Med Chem (2006) 49: 459-462 [PMID:16420031]
Butyrylcholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5077] [UniProtKB: Q9N1N9]
ChEMBL	Inhibition of BuChE from horse serum	B	7	pIC50	>100	nM	IC50	J Med Chem (2006) 49: 459-462 [PMID:16420031]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL	Mixed type inhibition of human hepatic microsomes CYP1B1 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate measured every 30 secs for 3 mins in presence of NADPH by spectrofluorometric analysis	B	4.85	pKi	14000	nM	Ki	Eur J Med Chem (2017) 135: 296-306 [PMID:28458135]
H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1]
ChEMBL	Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method	B	9.3	pKi	0.5	nM	Ki	J Med Chem (2019) 62: 11416-11422 [PMID:31724859]
MT1 receptor/Melatonin receptor 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1945] [GtoPdb: 287] [UniProtKB: P48039]
ChEMBL	Binding affinity to melatonin receptor MT1 (unknown origin)	B	9.82	pKd	0.15	nM	Kd	Medchemcomm (2015) 6: 1340-1344
GtoPdb	-	-	9.9	pKd	0.13	nM	Kd	Br J Pharmacol (2000) 129: 877-86 [PMID:10696085]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method	B	9.06	pKi	0.88	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constant	B	9.06	pKi	0.88	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assay	B	9.18	pKi	0.66	nM	Ki	J Med Chem (2000) 43: 1050-1061 [PMID:10737738]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes by radioligand binding assay	B	9.18	pKi	0.66	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Binding affinity towards human melatonin receptor type 1A	B	9.28	pKi	0.53	nM	Ki	Bioorg Med Chem Lett (2004) 14: 1023-1026 [PMID:15013015]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells	B	9.28	pKi	0.53	nM	Ki	Bioorg Med Chem (2008) 16: 7654-7661 [PMID:18657980]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 1 hr by gamma counting method	B	9.34	pKi	0.46	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in CHO cells	B	9.34	pKi	0.46	nM	Ki	Medchemcomm (2011) 2: 991-994
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human melatonin receptor MT1 expressed in CHO cells after 1 hr by gamma counting analysis	B	9.34	pKi	0.46	nM	Ki	Medchemcomm (2015) 6: 1340-1344
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells by gamma counting	B	9.34	pKi	0.46	nM	Ki	Bioorg Med Chem (2009) 17: 4583-4594 [PMID:19473848]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells	B	9.34	pKi	0.46	nM	Ki	J Med Chem (2009) 52: 826-833 [PMID:19193160]
ChEMBL	Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.	B	9.4	pKi	0.4	nM	Ki	Bioorg Med Chem Lett (2003) 13: 4381-4384 [PMID:14643330]
ChEMBL	Binding affinity against human Melatonin receptor type 1A by using 2-[125I]iodomelatonin as radioligand	B	9.4	pKi	0.4	nM	Ki	Bioorg Med Chem Lett (2004) 14: 3799-3802 [PMID:15203165]
ChEMBL	Binding of 2-[125I]iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A	B	9.4	pKi	0.4	nM	Ki	Bioorg Med Chem Lett (2004) 14: 1197-1200 [PMID:14980664]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells	B	9.41	pKi	0.39	nM	Ki	J Med Chem (2006) 49: 3509-3519 [PMID:16759094]
ChEMBL	Displacement of 2[125I]iodomelatonin from recombinant human MT1 receptor expressed in NIH 3T3 cells	B	9.41	pKi	0.39	nM	Ki	Eur J Med Chem (2007) 42: 1004-1013 [PMID:17346859]
ChEMBL	Displacement of [125I]2-iodomelatonin from human MT1 receptor	B	9.43	pKi	0.37	nM	Ki	J Med Chem (2011) 54: 5320-5334 [PMID:21726069]
ChEMBL	Binding affinity to human MT1A receptor by radioligand displacement assay	B	9.46	pKi	0.35	nM	Ki	Eur J Med Chem (2013) 63: 85-94 [PMID:23466604]
ChEMBL	Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins	B	9.48	pKi	0.33	nM	Ki	Bioorg Med Chem (2010) 18: 6496-6511 [PMID:20674373]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in NIH3T3 cells	B	9.49	pKi	0.32	nM	Ki	J Med Chem (2006) 49: 7393-7403 [PMID:17149869]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell lysates after 1 hr by gamma counting analysis	B	9.52	pKi	0.3	nM	Ki	J Nat Prod (2017) 80: 3324-3329 [PMID:29144746]
ChEMBL	Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]iodomelatonin	B	9.52	pKi	0.3	nM	Ki	Bioorg Med Chem Lett (2005) 15: 1345-1349 [PMID:15713384]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A	B	9.52	pKi	0.3	nM	Ki	Bioorg Med Chem Lett (2004) 14: 5157-5160 [PMID:15380218]
ChEMBL	Displacement of [3H]melatonin from human melatonin MT1 receptor expressed in CHO cells after 60 mins by scintillation counting	B	9.53	pKi	0.3	nM	Ki	Bioorg Med Chem Lett (2010) 20: 2582-2585 [PMID:20227878]
ChEMBL	Displacement of [3H]melatonin from human MT1 receptor expressed in CHO cells after 60 mins by microbeta scintillation method	B	9.53	pKi	0.3	nM	Ki	Bioorg Med Chem (2013) 21: 547-552 [PMID:23228808]
ChEMBL	Binding affinity was measured against cloned human Melatonin receptor type 1A subtype stably expressed in rat fibroblasts NIH3T3 cells	B	9.53	pKi	0.3	nM	Ki	J Med Chem (1998) 41: 3624-3634 [PMID:9733487]
ChEMBL	Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells	B	9.54	pKi	0.29	nM	Ki	J Med Chem (2004) 47: 4202-4212 [PMID:15293992]
ChEMBL	Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioligand	B	9.54	pKi	0.29	nM	Ki	J Med Chem (2001) 44: 2900-2912 [PMID:11520198]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1A (MT1) expressed in NIH3T3 rat fibroblast cells	B	9.54	pKi	0.29	nM	Ki	J Med Chem (2005) 48: 4049-4060 [PMID:15943478]
ChEMBL	Displacement of [125l]-lodomelatonin from human MT1 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis	B	9.57	pKi	0.27	nM	Ki	Eur J Med Chem (2020) 190: 112090-112090 [PMID:32018096]
ChEMBL	Displacement of 2[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells	B	9.58	pKi	0.26	nM	Ki	Bioorg Med Chem (2007) 15: 4543-4551 [PMID:17459711]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane	B	9.58	pKi	0.26	nM	Ki	Bioorg Med Chem (2011) 19: 4910-4916 [PMID:21775151]
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells	B	9.6	pKi	0.25	nM	Ki	Bioorg Med Chem Lett (2011) 21: 2316-2319 [PMID:21420861]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in human HEK293 cells by radioligand binding assay	B	9.6	pKi	0.25	nM	Ki	Eur J Med Chem (2011) 46: 4252-4257 [PMID:21764185]
ChEMBL	Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay	B	9.6	pKi	0.25	nM	Ki	Eur J Med Chem (2016) 109: 268-275 [PMID:26785296]
ChEMBL	Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay	B	9.62	pKi	0.24	nM	Ki	J Med Chem (2021) 64: 3059-3074 [PMID:33682410]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells	B	9.62	pKi	0.24	nM	Ki	J Med Chem (2011) 54: 4207-4218 [PMID:21568291]
ChEMBL	Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation counting	B	9.62	pKi	0.24	nM	Ki	J Med Chem (2011) 54: 3436-3444 [PMID:21473625]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins	B	9.64	pKi	0.23	nM	Ki	Eur J Med Chem (2016) 109: 360-370 [PMID:26820449]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells	B	9.66	pKi	0.22	nM	Ki	Eur J Med Chem (2011) 46: 1835-1840 [PMID:21392858]
ChEMBL	Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis	B	9.69	pKi	0.2	nM	Ki	J Med Chem (2018) 61: 7902-7916 [PMID:30126274]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation analysis	B	9.69	pKi	0.2	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting	B	9.7	pKi	0.2	nM	Ki	Bioorg Med Chem Lett (2013) 23: 430-434 [PMID:23265885]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells	B	9.7	pKi	0.2	nM	Ki	Bioorg Med Chem Lett (1997) 7: 2409-2414
ChEMBL	Binding affinity for human melatonin receptor type 1A, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand)	B	9.7	pKi	0.2	nM	Ki	J Med Chem (2000) 43: 4051-4062 [PMID:11063602]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells	B	9.7	pKi	0.2	nM	Ki	Bioorg Med Chem (2007) 15: 4643-4650 [PMID:17481904]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis	B	9.74	pKi	0.18	nM	Ki	J Med Chem (2021) 64: 1904-1929 [PMID:33626870]
ChEMBL	Binding Affinity (pKi) towards human Melatonin receptor type 1A	B	9.78	pKi	0.17	nM	Ki	J Med Chem (2003) 46: 1429-1439 [PMID:12672242]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells	B	9.85	pKi	0.14	nM	Ki	J Med Chem (2007) 50: 6618-6626 [PMID:18052314]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells	B	9.85	pKi	0.14	nM	Ki	Bioorg Med Chem (2008) 16: 8339-8348 [PMID:18778943]
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	9.85	pKi	0.14	nM	Ki	J Med Chem (2003) 46: 1127-1129 [PMID:12646022]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting	B	9.85	pKi	0.14	nM	Ki	Eur J Med Chem (2014) 86: 700-709 [PMID:25232966]
ChEMBL	Binding affinity against human Melatonin receptor type 1A by displacement of [125I]iodomelatonin stably expressed in CHO cells	B	9.89	pKi	0.13	nM	Ki	Bioorg Med Chem Lett (1997) 7: 2177-2180
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins	B	9.92	pKi	0.12	nM	Ki	Eur J Med Chem (2017) 127: 621-631 [PMID:28131094]
ChEMBL	Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]iodomelatonin as radioligand.	B	9.92	pKi	0.12	nM	Ki	J Med Chem (2002) 45: 2788-2800 [PMID:12061881]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells	B	9.92	pKi	0.12	nM	Ki	J Med Chem (2002) 45: 1853-1859 [PMID:11960497]
ChEMBL	Displacement of radiolabeled melatonin from human MT1 receptor	B	9.96	pKi	0.11	nM	Ki	J Med Chem (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins	B	10.04	pKi	0.09	nM	Ki	J Med Chem (2015) 58: 4998-5014 [PMID:26023814]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectrometry	B	10.04	pKi	0.09	nM	Ki	Eur J Med Chem (2015) 103: 370-373 [PMID:26367450]
ChEMBL	Binding affinity against human Melatonin receptor type 1A (MT1)	B	10.08	pKi	0.08	nM	Ki	J Med Chem (2002) 45: 4222-4239 [PMID:12213063]
ChEMBL	Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells	B	10.1	pKi	0.08	nM	Ki	J Med Chem (1997) 40: 4195-4198 [PMID:9435890]
ChEMBL	Binding affinity for melatonin 1A receptor was measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.	B	9	pIC50	1	nM	IC50	J Med Chem (1998) 41: 4453-4465 [PMID:9804685]
ChEMBL	In vitro receptor binding at MT1 (Melatonin) receptor.	B	9.22	pIC50	0.6	nM	IC50	Bioorg Med Chem Lett (2003) 13: 1199-1202 [PMID:12643943]
ChEMBL	Binding affinity to human ML1A receptor by radioligand displacement assay	B	9.28	pIC50	0.53	nM	IC50	Bioorg Med Chem (2013) 21: 2764-2771 [PMID:23582449]
ChEMBL	Binding affinity to human MT1A receptor by radioligand displacement assay	B	9.36	pIC50	0.44	nM	IC50	Eur J Med Chem (2013) 63: 85-94 [PMID:23466604]
ChEMBL	Binding affinity to human MT1 receptor	B	9.7	pIC50	0.2	nM	IC50	Eur J Med Chem (2011) 46: 1622-1629 [PMID:21377769]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells	B	9.7	pIC50	0.2	nM	IC50	Bioorg Med Chem (2008) 16: 4954-4962 [PMID:18372181]
ChEMBL	Displacement of radiolabeled melatonin from human MT1 receptor	B	9.74	pIC50	0.18	nM	IC50	J Med Chem (2008) 51: 7094-7098 [PMID:18983139]
ChEMBL	Displacement of [125I]2-iodomelatonin from human recombinant ML1A receptor expressed in CHO cells	B	9.96	pIC50	0.11	nM	IC50	Bioorg Med Chem (2016) 24: 1793-1810 [PMID:26988801]
ChEMBL	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method	B	9.96	pIC50	0.11	nM	IC50	Bioorg Med Chem (2017) 25: 471-482 [PMID:27876250]
ChEMBL	Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1A	F	8.65	pEC50	2.24	nM	EC50	J Med Chem (2003) 46: 1127-1129 [PMID:12646022]
ChEMBL	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	F	8.66	pEC50	2.2	nM	EC50	Bioorg Med Chem (2010) 18: 3426-3436 [PMID:20444610]
ChEMBL	Intrinsic activity evaluated on [35S]GTP -gamma-S binding in hamster ovarian (CHO) cells, stably expressing human Melatonin receptor type 1A	F	8.72	pEC50	1.92	nM	EC50	J Med Chem (2002) 45: 2788-2800 [PMID:12061881]
ChEMBL	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay	F	8.82	pEC50	1.5	nM	EC50	Bioorg Med Chem Lett (2011) 21: 2316-2319 [PMID:21420861]
ChEMBL	Agonist activity at MT1 receptor (unknown origin) expressed in HEK293 cells by Fluo-8 dye-based calcium assay	F	9	pEC50	1	nM	EC50	Bioorg Med Chem (2019) 27: 3299-3306 [PMID:31204226]
ChEMBL	Agonist activity at human MT1 receptor expressed in CHO cells assessed as increase in cAMP levels incubated at 28 degreeC by cellular dielectric spectroscopic analysis	F	9.96	pEC50	0.11	nM	EC50	J Med Chem (2021) 64: 1904-1929 [PMID:33626870]
ChEMBL	Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay	F	10.01	pEC50	0.1	nM	EC50	J Med Chem (2015) 58: 4998-5014 [PMID:26023814]
ChEMBL	Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel plate reader	F	10.59	pEC50	0.03	nM	EC50	J Med Chem (2011) 54: 4207-4218 [PMID:21568291]
ChEMBL	Agonist activity at human MT1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by EnVision Multilabel Plate Readers	F	10.59	pEC50	0.03	nM	EC50	J Med Chem (2011) 54: 3436-3444 [PMID:21473625]
ChEMBL	Agonist activity at human MT1 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by AlphaScreen assay	F	10.66	pEC50	0.02	nM	EC50	J Med Chem (2021) 64: 3059-3074 [PMID:33682410]
Melatonin receptor 1B in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4466] [UniProtKB: P51050]
ChEMBL	Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand	B	9.15	pKi	0.7	nM	Ki	Bioorg Med Chem Lett (1998) 8: 3325-3330 [PMID:9873728]
MT2 receptor/Melatonin receptor 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286]
GtoPdb	-	-	9.6	pKd	0.28	nM	Kd	Br J Pharmacol (2000) 129: 877-86 [PMID:10696085]
ChEMBL	Binding affinity to melatonin receptor MT2 (unknown origin)	B	9.82	pKd	0.15	nM	Kd	Medchemcomm (2015) 6: 1340-1344
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human melatonin receptor MT2 expressed in CHO cells after 1 hr by gamma counting analysis	B	9.02	pKi	0.95	nM	Ki	Medchemcomm (2015) 6: 1340-1344
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells by gamma counting	B	9.02	pKi	0.95	nM	Ki	Bioorg Med Chem (2009) 17: 4583-4594 [PMID:19473848]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	B	9.02	pKi	0.95	nM	Ki	J Med Chem (2009) 52: 826-833 [PMID:19193160]
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in CHO cells	B	9.02	pKi	0.95	nM	Ki	Medchemcomm (2011) 2: 991-994
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 1 hr by gamma counting method	B	9.02	pKi	0.95	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells	B	9.13	pKi	0.74	nM	Ki	Bioorg Med Chem (2008) 16: 7654-7661 [PMID:18657980]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B	B	9.15	pKi	0.7	nM	Ki	Bioorg Med Chem Lett (2004) 14: 5157-5160 [PMID:15380218]
ChEMBL	Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]iodomelatonin	B	9.15	pKi	0.7	nM	Ki	Bioorg Med Chem Lett (2005) 15: 1345-1349 [PMID:15713384]
ChEMBL	Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins	B	9.21	pKi	0.62	nM	Ki	Bioorg Med Chem (2010) 18: 6496-6511 [PMID:20674373]
ChEMBL	Binding affinity for melatonin receptor type 1B, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand)	B	9.28	pKi	0.53	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	9.28	pKi	0.52	nM	Ki	Eur J Med Chem (2016) 109: 360-370 [PMID:26820449]
ChEMBL	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting	B	9.3	pKi	0.5	nM	Ki	Bioorg Med Chem Lett (2013) 23: 430-434 [PMID:23265885]
ChEMBL	Displacement of [3H]melatonin from human MT2 receptor expressed in CHO cells after 60 mins by microbeta scintillation method	B	9.37	pKi	0.43	nM	Ki	Bioorg Med Chem (2013) 21: 547-552 [PMID:23228808]
ChEMBL	Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting	B	9.37	pKi	0.43	nM	Ki	Bioorg Med Chem Lett (2010) 20: 2582-2585 [PMID:20227878]
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	9.39	pKi	0.41	nM	Ki	J Med Chem (2003) 46: 1127-1129 [PMID:12646022]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting	B	9.39	pKi	0.41	nM	Ki	Eur J Med Chem (2014) 86: 700-709 [PMID:25232966]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	B	9.39	pKi	0.41	nM	Ki	Bioorg Med Chem (2008) 16: 8339-8348 [PMID:18778943]
ChEMBL	Displacement of 2[125I]iodomelatonin from recombinant human MT2 receptor expressed in NIH 3T3 cells	B	9.45	pKi	0.35	nM	Ki	Eur J Med Chem (2007) 42: 1004-1013 [PMID:17346859]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	B	9.46	pKi	0.35	nM	Ki	Eur J Med Chem (2011) 46: 1835-1840 [PMID:21392858]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells	B	9.46	pKi	0.35	nM	Ki	J Med Chem (2006) 49: 3509-3519 [PMID:16759094]
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells	B	9.47	pKi	0.34	nM	Ki	Bioorg Med Chem Lett (2011) 21: 2316-2319 [PMID:21420861]
ChEMBL	Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay	B	9.47	pKi	0.34	nM	Ki	Eur J Med Chem (2016) 109: 268-275 [PMID:26785296]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in human HEK293 cells by radioligand binding assay	B	9.47	pKi	0.34	nM	Ki	Eur J Med Chem (2011) 46: 4252-4257 [PMID:21764185]
ChEMBL	Displacement of 2[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells	B	9.47	pKi	0.34	nM	Ki	Bioorg Med Chem (2007) 15: 4543-4551 [PMID:17459711]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane	B	9.47	pKi	0.34	nM	Ki	Bioorg Med Chem (2011) 19: 4910-4916 [PMID:21775151]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes by radioligand binding assay	B	9.48	pKi	0.33	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assay	B	9.48	pKi	0.33	nM	Ki	J Med Chem (2000) 43: 1050-1061 [PMID:10737738]
ChEMBL	Binding affinity towards human melatonin receptor type 1B	B	9.49	pKi	0.32	nM	Ki	Bioorg Med Chem Lett (2004) 14: 1023-1026 [PMID:15013015]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells	B	9.51	pKi	0.31	nM	Ki	J Med Chem (2002) 45: 1853-1859 [PMID:11960497]
ChEMBL	Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]iodomelatonin as radioligand.	B	9.51	pKi	0.31	nM	Ki	J Med Chem (2002) 45: 2788-2800 [PMID:12061881]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins	B	9.51	pKi	0.31	nM	Ki	Eur J Med Chem (2017) 127: 621-631 [PMID:28131094]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation analysis	B	9.52	pKi	0.3	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Binding affinity against human Melatonin receptor type 1B by using 2-[125I]iodomelatonin as radioligand	B	9.52	pKi	0.3	nM	Ki	Bioorg Med Chem Lett (2004) 14: 3799-3802 [PMID:15203165]
ChEMBL	Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells	B	9.52	pKi	0.3	nM	Ki	Bioorg Med Chem Lett (2003) 13: 4381-4384 [PMID:14643330]
ChEMBL	Binding of 2-[125I]iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B	B	9.52	pKi	0.3	nM	Ki	Bioorg Med Chem Lett (2004) 14: 1197-1200 [PMID:14980664]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells	B	9.52	pKi	0.3	nM	Ki	Bioorg Med Chem (2007) 15: 4643-4650 [PMID:17481904]
ChEMBL	Binding Affinity (pKi) towards human Melatonin receptor type 1B	B	9.53	pKi	0.3	nM	Ki	J Med Chem (2003) 46: 1429-1439 [PMID:12672242]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells	B	9.54	pKi	0.29	nM	Ki	Bioorg Med Chem Lett (1997) 7: 2409-2414
ChEMBL	Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis	B	9.54	pKi	0.29	nM	Ki	J Med Chem (2018) 61: 7902-7916 [PMID:30126274]
ChEMBL	Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin	B	9.55	pKi	0.28	nM	Ki	J Med Chem (2001) 44: 2900-2912 [PMID:11520198]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1B (MT2) expressed in NIH3T3 rat fibroblast cells	B	9.55	pKi	0.28	nM	Ki	J Med Chem (2005) 48: 4049-4060 [PMID:15943478]
ChEMBL	Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells	B	9.55	pKi	0.28	nM	Ki	J Med Chem (2004) 47: 4202-4212 [PMID:15293992]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in NIH3T3 cells	B	9.59	pKi	0.26	nM	Ki	J Med Chem (2006) 49: 7393-7403 [PMID:17149869]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells	B	9.62	pKi	0.24	nM	Ki	J Med Chem (2007) 50: 6618-6626 [PMID:18052314]
ChEMBL	Binding affinity against human Melatonin receptor type 1B by displacement of [125I]iodomelatonin stably expressed in CHO cells	B	9.64	pKi	0.23	nM	Ki	Bioorg Med Chem Lett (1997) 7: 2177-2180
ChEMBL	Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay	B	9.68	pKi	0.21	nM	Ki	J Med Chem (2021) 64: 3059-3074 [PMID:33682410]
ChEMBL	Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting	B	9.68	pKi	0.21	nM	Ki	J Med Chem (2011) 54: 3436-3444 [PMID:21473625]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	B	9.68	pKi	0.21	nM	Ki	J Med Chem (2011) 54: 4207-4218 [PMID:21568291]
ChEMBL	Binding affinity against human Melatonin receptor type 1B (MT2)	B	9.71	pKi	0.2	nM	Ki	J Med Chem (2002) 45: 4222-4239 [PMID:12213063]
ChEMBL	Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant	B	9.74	pKi	0.18	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method	B	9.74	pKi	0.18	nM	Ki	Eur J Med Chem (2020) 185: 111847-111847 [PMID:31727472]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectrometry	B	9.82	pKi	0.15	nM	Ki	Eur J Med Chem (2015) 103: 370-373 [PMID:26367450]
ChEMBL	Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins	B	9.82	pKi	0.15	nM	Ki	J Med Chem (2015) 58: 4998-5014 [PMID:26023814]
ChEMBL	Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis	B	9.89	pKi	0.13	nM	Ki	Eur J Med Chem (2020) 190: 112090-112090 [PMID:32018096]
ChEMBL	Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells	B	9.92	pKi	0.12	nM	Ki	J Med Chem (1997) 40: 4195-4198 [PMID:9435890]
ChEMBL	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis	B	9.92	pKi	0.12	nM	Ki	J Med Chem (2021) 64: 1904-1929 [PMID:33626870]
ChEMBL	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells	B	9.28	pIC50	0.53	nM	IC50	Bioorg Med Chem (2008) 16: 4954-4962 [PMID:18372181]
ChEMBL	Binding affinity to human MT2 receptor	B	9.28	pIC50	0.53	nM	IC50	Eur J Med Chem (2011) 46: 1622-1629 [PMID:21377769]
ChEMBL	In vitro receptor binding at MT2 (Melatonin) receptor.	B	9.52	pIC50	0.3	nM	IC50	Bioorg Med Chem Lett (2003) 13: 1199-1202 [PMID:12643943]
ChEMBL	Agonist activity at MT2 receptor (unknown origin) expressed in HEK293 cells by Fluo-8 dye-based calcium assay	F	7.6	pEC50	25	nM	EC50	Bioorg Med Chem (2019) 27: 3299-3306 [PMID:31204226]
ChEMBL	Agonist activity at human MT2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by EnVision Multilabel Plate Readers	F	9.07	pEC50	0.85	nM	EC50	J Med Chem (2011) 54: 3436-3444 [PMID:21473625]
ChEMBL	Agonist activity at human MT2 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by AlphaScreen assay	F	9.07	pEC50	0.85	nM	EC50	J Med Chem (2021) 64: 3059-3074 [PMID:33682410]
ChEMBL	Agonist activity at human MT2 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel plate reader	F	9.09	pEC50	0.82	nM	EC50	J Med Chem (2011) 54: 4207-4218 [PMID:21568291]
ChEMBL	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay	F	9.31	pEC50	0.49	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	9.31	pEC50	0.49	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	9.31	pEC50	0.49	nM	EC50	J Med Chem (2003) 46: 1127-1129 [PMID:12646022]
ChEMBL	Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]GTP-gamma-S, binding in Chinese hamster ovarian (CHO) cells	F	9.33	pEC50	0.47	nM	EC50	J Med Chem (2002) 45: 2788-2800 [PMID:12061881]
ChEMBL	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	F	9.38	pEC50	0.42	nM	EC50	Bioorg Med Chem Lett (2011) 21: 2316-2319 [PMID:21420861]
ChEMBL	Agonist activity at human MT2 receptor expressed in CHO cells assessed as increase in cAMP production incubated at 37 degreeC by fluorometric method	F	10.15	pEC50	0.07	nM	EC50	J Med Chem (2021) 64: 1904-1929 [PMID:33626870]
ChEMBL	Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay	F	10.16	pEC50	0.07	nM	EC50	J Med Chem (2015) 58: 4998-5014 [PMID:26023814]
Melatonin receptor 1C in Xenopus laevis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5495] [UniProtKB: P49219]
ChEMBL	Agonist activity at Melatonin receptor type 1C in Xenopus laevis melanophores assessed as induction of pigment aggregation response by microtiter plate reader based absorbance detection assay	B	9.91	pEC50	0.12	nM	EC50	Medchemcomm (2019) 10: 460-464 [PMID:31191854]
ChEMBL	Agonist activity in Xenopus laevis melanophores assessed as melatoninergic activity	F	10.07	pEC50	0.09	nM	EC50	Eur J Med Chem (2007) 42: 1004-1013 [PMID:17346859]
ChEMBL	Effect on pigment aggregation in Xenopus laevis melanophores	F	10.1	pEC50	0.08	nM	EC50	Bioorg Med Chem (2007) 15: 4543-4551 [PMID:17459711]
myeloperoxidase/Myeloperoxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2439] [GtoPdb: 2789] [UniProtKB: P05164]
ChEMBL	Inhibition of MPO (unknown origin) using H2O2 as substrate	B	5.52	pIC50	3000	nM	IC50	Bioorg Med Chem Lett (2019) 29: 1-7 [PMID:30466896]
Quinone reductase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3959] [UniProtKB: P16083]
ChEMBL	Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane	B	7.24	pKi	56.9	nM	Ki	J Med Chem (2002) 45: 1853-1859 [PMID:11960497]
ChEMBL	Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.	B	7.56	pKi	27.6	nM	Ki	J Med Chem (2002) 45: 4212-4221 [PMID:12213062]
ChEMBL	Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) incubated at 23 degC by MTT assay	B	4.95	pIC50	11300	nM	IC50	J Med Chem (2009) 52: 1873-1884 [PMID:19265439]
ChEMBL	Binding affinity to human recombinant quinine reductase 2 expressed in Escherichia coli BL21 (DE3) using menadione and NMeH as substrates	B	4.95	pIC50	11300	nM	IC50	Bioorg Med Chem Lett (2012) 22: 7578-7581 [PMID:23131339]
ChEMBL	Binding affinity to quinine reductase 2 using MTT and NMeH as substrates	B	5.18	pIC50	6600	nM	IC50	Bioorg Med Chem Lett (2012) 22: 7578-7581 [PMID:23131339]
ChEMBL	Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates	B	5.18	pIC50	6600	nM	IC50	Bioorg Med Chem Lett (2017) 27: 3787-3793 [PMID:28687205]
ChEMBL	Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2	B	7.19	pIC50	64.6	nM	IC50	Eur J Med Chem (2011) 46: 1622-1629 [PMID:21377769]
ChEMBL	Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells	B	7.19	pIC50	64.57	nM	IC50	Eur J Med Chem (2008) 43: 2861-2869 [PMID:18400335]

ChEMBL data shown on this page come from version 33:

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]