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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 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]