MK-1064 [Ligand Id: 9306] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3338866 (Mk-1064, MK 1064)
  • OX1 receptor/Orexin receptor 1 in Human [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
  • OX1 receptor in Dog [GtoPdb: 321]
  • OX1 receptor in Mouse [GtoPdb: 321] [UniProtKB: P58307]
  • OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718]
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  • OX2 receptor/Orexin receptor 2 in Human [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
  • OX2 receptor in Dog [GtoPdb: 322]
  • OX2 receptor in Mouse [GtoPdb: 322] [UniProtKB: P58308, P58308-2]
  • OX2 receptor in Rat [GtoPdb: 322] [UniProtKB: P56719]
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
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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]
GtoPdb - - 5.8 pKi 1584 nM Ki ChemMedChem (2014) 9: 311-22 [PMID:24376006]
ChEMBL Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysis B 5.8 pKi 1584 nM Ki J Med Chem (2015) 58: 5620-5636 [PMID:26087021]
ChEMBL Binding affinity to human orexin-1 receptor expressed in CHO cell membranes after 3 hrs by radioligand displacement assay B 5.8 pKi 1584 nM Ki Bioorg Med Chem Lett (2015) 25: 2875-2887 [PMID:26045032]
ChEMBL Antagonist activity at human OX1R expressed in CHO cells by FLIPR assay B 5.75 pIC50 1789 nM IC50 J Med Chem (2016) 59: 504-530 [PMID:26317591]
OX1 receptor in Dog [GtoPdb: 321]
GtoPdb - - 5.9 pKi - - - ChemMedChem (2014) 9: 311-22 [PMID:24376006];
Sci Rep (2022) 12: 8473 [PMID:35589803]
OX1 receptor in Mouse [GtoPdb: 321] [UniProtKB: P58307]
GtoPdb - - 5.4 pKi - - - ChemMedChem (2014) 9: 311-22 [PMID:24376006];
Sci Rep (2022) 12: 8473 [PMID:35589803]
OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718]
GtoPdb - - 6 pKi - - - ChemMedChem (2014) 9: 311-22 [PMID:24376006];
Sci Rep (2022) 12: 8473 [PMID:35589803]
OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
GtoPdb - - 9.3 pKi 0.5 nM Ki ChemMedChem (2014) 9: 311-22 [PMID:24376006]
ChEMBL Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 receptor expressed in CHO cell membranes after 3 hrs by scintillation counting analysis B 9.3 pKi 0.5 nM Ki J Med Chem (2015) 58: 5620-5636 [PMID:26087021]
ChEMBL Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1[3H]-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human orexin-2 receptor expressed in CHO cell membranes after 3 hrs by scintillation counting analysis B 9.3 pKi 0.5 nM Ki Bioorg Med Chem Lett (2015) 25: 2875-2887 [PMID:26045032]
ChEMBL Binding affinity to OX2R (unknown origin) assessed as inhibition constant B 9.3 pKi 0.5 nM Ki RSC Med Chem (2024) 15: 344-354 [PMID:38283232]
ChEMBL Antagonist activity at human OX2R expressed in CHO cells by FLIPR assay B 7.74 pIC50 18 nM IC50 J Med Chem (2016) 59: 504-530 [PMID:26317591]
OX2 receptor in Dog [GtoPdb: 322]
GtoPdb - - 9.1 pKi - - - ChemMedChem (2014) 9: 311-22 [PMID:24376006];
Sci Rep (2022) 12: 8473 [PMID:35589803]
OX2 receptor in Mouse [GtoPdb: 322] [UniProtKB: P58308, P58308-2]
GtoPdb - - 9 pKi - - - ChemMedChem (2014) 9: 311-22 [PMID:24376006];
Sci Rep (2022) 12: 8473 [PMID:35589803]
OX2 receptor in Rat [GtoPdb: 322] [UniProtKB: P56719]
GtoPdb - - 8.7 pKi - - - ChemMedChem (2014) 9: 311-22 [PMID:24376006];
Sci Rep (2022) 12: 8473 [PMID:35589803]
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
ChEMBL PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 5.34 pKi 4592.51 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding

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]