lemborexant [Ligand Id: 9302] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3545367 (Dayvigo, E-2006, E2006, Lemborexant)
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  • 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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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG B 5.21 pIC50 6100 nM IC50 J Med Chem (2015) 58: 4648-4664 [PMID:25953512]
OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
GtoPdb In a radioligand binding assay - 8.22 pKi 6 nM Ki J Med Chem (2015) 58: 4648-64 [PMID:25953512]
ChEMBL Binding affinity to human OX1R by radioligand displacement binding assay B 8.22 pKi 6 nM Ki J Med Chem (2015) 58: 4648-4664 [PMID:25953512]
ChEMBL Binding affinity to human OX1R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay B 8.24 pKi 5.7 nM Ki J Med Chem (2015) 58: 4648-4664 [PMID:25953512]
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 8.6 pKi 2.51 nM Ki J Med Chem (2020) 63: 1528-1543 [PMID:31860301]
GtoPdb - - 8.6 pKi - - - J Med Chem (2020) 63: 1528-1543 [PMID:31860301]
OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
GtoPdb In vitro radioligand binding assay - 8.52 pKi 3 nM Ki J Med Chem (2015) 58: 4648-64 [PMID:25953512]
ChEMBL Binding affinity to human OX2R by radioligand displacement binding assay B 8.52 pKi 3 nM Ki J Med Chem (2015) 58: 4648-4664 [PMID:25953512]
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 9.3 pKi 0.5 nM Ki J Med Chem (2020) 63: 1528-1543 [PMID:31860301]
GtoPdb - - 9.3 pKi - - - J Med Chem (2020) 63: 1528-1543 [PMID:31860301]
ChEMBL Binding affinity to human OX2R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay B 9.36 pKi 0.44 nM Ki J Med Chem (2015) 58: 4648-4664 [PMID:25953512]

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]