ACT-335827 [Ligand Id: 9122] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2413367
  • OX1 receptor/Orexin receptor 1 in Human [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
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  • OX2 receptor/Orexin receptor 2 in Human [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
ChEMBL Binding affinity to human OXIR B 8.22 pKi 6 nM Ki ACS Med Chem Lett (2020) 11: 2002-2009 [PMID:33062185]
ChEMBL Binding affinity to orexin receptor 1 (unknown origin) B 8.22 pIC50 6 nM IC50 Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
ChEMBL Antagonist activity at OX1 receptor (unknown origin) B 8.22 pIC50 6 nM IC50 J Med Chem (2013) 56: 6901-6916 [PMID:23941044]
ChEMBL Antagonist activity at orexin-1 receptor (unknown origin) B 8.22 pIC50 6 nM IC50 Bioorg Med Chem Lett (2015) 25: 2875-2887 [PMID:26045032]
OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
ChEMBL Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from human OX2 receptor expressed on CHO cell membrane measured after 3 hrs by TopCount method B 6.38 pKi 417 nM Ki Bioorg Med Chem Lett (2016) 26: 5809-5814 [PMID:27818110]
ChEMBL Binding affinity to human OX2R B 6.38 pKi 417 nM Ki ACS Med Chem Lett (2020) 11: 2002-2009 [PMID:33062185]
ChEMBL Binding affinity to orexin receptor 2 (unknown origin) B 6.38 pIC50 417 nM IC50 Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
ChEMBL Antagonist activity at OX2 receptor (unknown origin) B 6.38 pIC50 417 nM IC50 J Med Chem (2013) 56: 6901-6916 [PMID:23941044]
ChEMBL Antagonist activity at orexin-2 receptor (unknown origin) B 6.38 pIC50 417 nM IC50 Bioorg Med Chem Lett (2015) 25: 2875-2887 [PMID:26045032]

ChEMBL data shown on this page come from version 34:

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]