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 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]