5MCA-NAT [Ligand Id: 3393] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL504585
  • 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 Binding affinity to human MT1 receptor B 6 pIC50 1000 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 7 pIC50 100 nM IC50 Bioorg. Med. Chem. (2008) 16: 4954-4962 [PMID:18372181]
MT2 receptor/Melatonin receptor 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1946] [GtoPdb: 288] [UniProtKB: P49286]
ChEMBL Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells B 5.4 pIC50 4000 nM IC50 Bioorg. Med. Chem. (2008) 16: 4954-4962 [PMID:18372181]
ChEMBL Binding affinity to human MT2 receptor B 5.4 pIC50 4000 nM IC50 Eur. J. Med. Chem. (2011) 46: 1622-1629 [PMID:21377769]
Quinone reductase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3959] [UniProtKB: P16083]
ChEMBL Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2 B 7.24 pIC50 58 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 7.24 pIC50 57.54 nM IC50 Eur. J. Med. Chem. (2008) 43: 2861-2869 [PMID:18400335]
ChEMBL Binding affinity to low affinity melatonin (MT3) site of quinone reductase 2 B 8.57 pIC50 2.7 nM IC50 Eur. J. Med. Chem. (2011) 46: 1622-1629 [PMID:21377769]

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]