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ChEMBL ligand: CHEMBL3545367 (Dayvigo, E-2006, E2006, Lemborexant) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 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]