2-iodo-melatonin [Ligand Id: 1343] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL289233 (2-Iodomelatonin, Iodomelatonin)
  • MT1 receptor/Melatonin receptor 1A in Human [ChEMBL: CHEMBL1945] [GtoPdb: 287] [UniProtKB: P48039]
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  • MT2 receptor/Melatonin receptor 1B in Human [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286]
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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 Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells B 10.1 pKi 0.08 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2409-2414
ChEMBL Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cells B 10.17 pKi 0.07 nM Ki J. Med. Chem. (2014) 57: 3161-3185 [PMID:24228714]
ChEMBL Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells B 10.89 pKi 0.01 nM Ki J. Med. Chem. (2002) 45: 1853-1859 [PMID:11960497]
GtoPdb - - 11 pKi - - - Naunyn Schmiedebergs Arch Pharmacol (2003) 367: 553-61 [PMID:12764576];
J Pharmacol Exp Ther (1985) 234: 395-401 [PMID:2991499]
ChEMBL Melatonin receptor type 1A binding affinity 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]
MT2 receptor/Melatonin receptor 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286]
ChEMBL Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cells B 9.66 pKi 0.22 nM Ki J. Med. Chem. (2014) 57: 3161-3185 [PMID:24228714]
ChEMBL Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells B 9.8 pKi 0.16 nM Ki J. Med. Chem. (2002) 45: 1853-1859 [PMID:11960497]
ChEMBL Compound was tested for binding affinity against human Melatonin receptor type 1B in CHO cells B 9.82 pKi 0.15 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2409-2414
GtoPdb - - 10.3 pKi - - - Naunyn Schmiedebergs Arch Pharmacol (2003) 367: 553-61 [PMID:12764576];
Naunyn Schmiedebergs Arch Pharmacol (1997) 355: 365-75 [PMID:9089668];
J Pharmacol Exp Ther (1998) 285: 1239-45 [PMID:9618428];
J Pharmacol Exp Ther (1985) 234: 395-401 [PMID:2991499]
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 8.19 pKi 6.5 nM Ki J. Med. Chem. (2002) 45: 1853-1859 [PMID:11960497]
ChEMBL Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) incubated at 23 degC by MTT assay B 5.96 pIC50 1100 nM IC50 J. Med. Chem. (2009) 52: 1873-1884 [PMID:19265439]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]