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ChEMBL ligand: CHEMBL455136 (ACT-078573, Almorexant) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]