suvorexant [Ligand Id: 2890] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL1083659 (Belsomra, MK-4305, MK4305, Suvorexant) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| 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 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]
