suvorexant [Ligand Id: 2890] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1083659 (Belsomra, MK-4305, MK4305, Suvorexant) |
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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 | Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay | B | 8.51 | pKi | 3.09 | nM | Ki | J Med Chem (2020) 63: 11045-11053 [PMID:32977721] |
| GtoPdb | - | - | 9.2 | pKi | - | - | - | J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311] |
| ChEMBL | Binding affinity to orexin receptor 1 (unknown origin) | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187] |
| ChEMBL | Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 2079-2085 [PMID:24704030] |
| ChEMBL | Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in CHO cells after 3 hrs by scintillation counting | B | 9.26 | pKi | 0.55 | nM | Ki | J Med Chem (2010) 53: 5320-5332 [PMID:20565075] |
| ChEMBL | Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expressed in CHO cells after 20 hrs by scintillation counting | B | 9.26 | pKi | 0.55 | nM | Ki | J Med Chem (2010) 53: 5320-5332 [PMID:20565075] |
| GtoPdb | - | - | 9.3 | pKi | 0.5 | nM | Ki |
J Med Chem (2010) 53: 5320-32 [PMID:20565075]; Front Neurosci (2013) 7: 230 [PMID:24376396]; Br J Pharmacol (2014) 171: 351-63 [PMID:23692283]; J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX1 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method | B | 9.4 | pKi | 0.4 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins by FLIPR assay | F | 6.7 | pIC50 | 199 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1458-1462 [PMID:28216404] |
| ChEMBL | Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins by FLIPR assay | F | 7.3 | pIC50 | 50 | nM | IC50 | J Med Chem (2010) 53: 5320-5332 [PMID:20565075] |
| ChEMBL | Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay | B | 7.3 | pIC50 | 50 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2079-2085 [PMID:24704030] |
| ChEMBL | Antagonist activity at OX1R (unknown origin) | B | 7.3 | pIC50 | 50 | 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 | Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis | B | 7.93 | pKi | 11.8 | nM | Ki | Bioorg Med Chem (2014) 22: 6071-6088 [PMID:25267004] |
| ChEMBL | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX2 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method | B | 9.1 | pKi | 0.79 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Binding affinity to orexin receptor 2 (unknown origin) | B | 9.4 | pKi | 0.4 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187] |
| ChEMBL | Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis | B | 9.4 | pKi | 0.4 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 2079-2085 [PMID:24704030] |
| GtoPdb | - | - | 9.4 | pKi | - | - | - | J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311] |
| ChEMBL | Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells after 3 hrs by scintillation counting | B | 9.46 | pKi | 0.35 | nM | Ki | J Med Chem (2010) 53: 5320-5332 [PMID:20565075] |
| GtoPdb | - | - | 9.5 | pKi | - | - | Ki |
J Med Chem (2010) 53: 5320-32 [PMID:20565075]; Front Neurosci (2013) 7: 230 [PMID:24376396]; Br J Pharmacol (2014) 171: 351-63 [PMID:23692283]; J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins by FLIPR assay | F | 6.86 | pIC50 | 138 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1458-1462 [PMID:28216404] |
| ChEMBL | Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins by FLIPR assay | F | 7.25 | pIC50 | 56 | nM | IC50 | J Med Chem (2010) 53: 5320-5332 [PMID:20565075] |
| ChEMBL | Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay | B | 7.25 | pIC50 | 56 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2079-2085 [PMID:24704030] |
| ChEMBL | Antagonist activity at OX2R (unknown origin) | B | 7.25 | pIC50 | 56 | nM | IC50 | J Med Chem (2016) 59: 504-530 [PMID:26317591] |
| ChEMBL | Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60 mins by FLIPR assay | F | 9.4 | pIC50 | 0.4 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 4992-4999 [PMID:25613676] |
| OX2 receptor in Mouse [GtoPdb: 322] [UniProtKB: P58308, P58308-2] | ||||||||
| OX2 receptor in Rat [GtoPdb: 322] [UniProtKB: P56719] | ||||||||
| GtoPdb | - | - | 9 | pKi | - | - | - | J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311] |
| OX1 receptor in Human [GtoPdb: 321] [UniProtKB: O43613] | ||||||||
| GtoPdb | - | - | 9.2 | pKi | - | - | - | J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311] |
| GtoPdb | - | - | 9.3 | pKi | 0.5 | nM | Ki |
J Med Chem (2010) 53: 5320-32 [PMID:20565075]; Front Neurosci (2013) 7: 230 [PMID:24376396]; Br J Pharmacol (2014) 171: 351-63 [PMID:23692283]; J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| OX1 receptor/Orexin receptor type 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2434819] [GtoPdb: 321] [UniProtKB: P58307] | ||||||||
| ChEMBL | Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay | F | 8.77 | pKi | 1.7 | nM | Ki | J Med Chem (2013) 56: 7590-7607 [PMID:23964859] |
| OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718] | ||||||||
| OX2 receptor in Human [GtoPdb: 322] [UniProtKB: O43614] | ||||||||
| GtoPdb | - | - | 9.4 | pKi | - | - | - | J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311] |
| GtoPdb | - | - | 9.5 | pKi | - | - | Ki |
J Med Chem (2010) 53: 5320-32 [PMID:20565075]; Front Neurosci (2013) 7: 230 [PMID:24376396]; Br J Pharmacol (2014) 171: 351-63 [PMID:23692283]; J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| OX2 receptor/Orexin receptor type 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2434818] [GtoPdb: 322] [UniProtKB: P58308] | ||||||||
| ChEMBL | Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay | F | 8.06 | pKi | 8.71 | nM | Ki | J Med Chem (2013) 56: 7590-7607 [PMID:23964859] |
| OX2 receptor in Rat [GtoPdb: 322] [UniProtKB: P56719] | ||||||||
| GtoPdb | - | - | 9 | pKi | - | - | - | J Pharmacol Exp Ther (2017) 362: 489-503 [PMID:28663311] |
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]
