almorexant [Ligand Id: 2886] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL455136 (ACT-078573, Almorexant)
  • OX1 receptor/Orexin receptor 1 in Human [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
  • OX1 receptor in Mouse [GtoPdb: 321] [UniProtKB: P58307]
  • OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718]
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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 orexin receptor 1 (unknown origin) B 7.89 pKi 13 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
GtoPdb - - 8.5 pKi - - - Mol Pharmacol (2009) 76: 618-31 [PMID:19542319];
Mol Pharmacol (2010) 78: 81-93 [PMID:20404073];
J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311]
ChEMBL Antagonist activity at OX1 receptor (unknown origin) B 6.92 pIC50 119 nM IC50 J Med Chem (2013) 56: 6901-6916 [PMID:23941044]
ChEMBL Inhibition of OX1 receptor B 7.89 pIC50 13 nM IC50 J Med Chem (2009) 52: 891-903 [PMID:19199652]
ChEMBL Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay F 7.89 pIC50 13 nM IC50 Bioorg Med Chem Lett (2013) 23: 3857-3863 [PMID:23719231]
ChEMBL Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release F 7.89 pIC50 13 nM IC50 J Med Chem (2016) 59: 504-530 [PMID:26317591]
OX1 receptor in Mouse [GtoPdb: 321] [UniProtKB: P58307]
OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718]
OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
ChEMBL Binding affinity to orexin receptor 2 (unknown origin) B 8.1 pKi 8 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
ChEMBL Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis B 8.33 pKi 4.7 nM Ki Bioorg Med Chem (2014) 22: 6071-6088 [PMID:25267004]
GtoPdb - - 9.4 pKi - - - Br J Pharmacol (2009) 156: 1326-41 [PMID:19751316];
Mol Pharmacol (2009) 76: 618-31 [PMID:19542319];
Mol Pharmacol (2010) 78: 81-93 [PMID:20404073];
J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311]
ChEMBL Antagonist activity at OX2 receptor (unknown origin) B 5.09 pIC50 8100 nM IC50 J Med Chem (2013) 56: 6901-6916 [PMID:23941044]
ChEMBL Inhibition of OX2 receptor B 8.1 pIC50 8 nM IC50 J Med Chem (2009) 52: 891-903 [PMID:19199652]
ChEMBL Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay F 8.1 pIC50 8 nM IC50 Bioorg Med Chem Lett (2013) 23: 3857-3863 [PMID:23719231]
ChEMBL Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release F 8.1 pIC50 8 nM IC50 J Med Chem (2016) 59: 504-530 [PMID:26317591]
OX2 receptor in Mouse [GtoPdb: 322] [UniProtKB: P58308, P58308-2]
OX2 receptor in Rat [GtoPdb: 322] [UniProtKB: P56719]

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]