suvorexant [Ligand Id: 2890] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1083659 (MK4305, Suvorexant, MK-4305, Belsomra)
  • OX1 receptor/Orexin receptor 1 in Human [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
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  • OX2 receptor/Orexin receptor 2 in Human [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
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  • OX1 receptor in Human [GtoPdb: 321] [UniProtKB: O43613]
  • OX1 receptor/Orexin receptor type 1 in Mouse [ChEMBL: CHEMBL2434819] [GtoPdb: 321] [UniProtKB: P58307]
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  • OX2 receptor in Human [GtoPdb: 322] [UniProtKB: O43614]
  • OX2 receptor/Orexin receptor type 2 in Mouse [ChEMBL: CHEMBL2434818] [GtoPdb: 322] [UniProtKB: P58308]
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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 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]
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 B 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]
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]
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]
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 B 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 B 9.4 pIC50 0.4 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 4992-4999 [PMID:25613676]
OX1 receptor in Human [GtoPdb: 321] [UniProtKB: O43613]
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]
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 B 8.77 pKi 1.7 nM Ki J. Med. Chem. (2013) 56: 7590-7607 [PMID:23964859]
OX2 receptor in Human [GtoPdb: 322] [UniProtKB: O43614]
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]
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 B 8.06 pKi 8.71 nM Ki J. Med. Chem. (2013) 56: 7590-7607 [PMID:23964859]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]