ACT-335827 [Ligand Id: 9122] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2413367 |
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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 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]
