SB-408124 [Ligand Id: 1704] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1334465 (SB-408124)
  • D1 receptor/Dopamine D1 receptor in Human [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728]
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  • OX1 receptor/Orexin receptor 1 in Human [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
  • 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]
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728]
ChEMBL Binding affinity to dopamine D1 receptor (unknown origin) B 5.75 pKi 1780 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613]
ChEMBL Binding affinity to OX1 receptor B 7.57 pKd 26.92 nM Kd J Med Chem (2009) 52: 891-903 [PMID:19199652]
GtoPdb - - 7 pKi 100 nM Ki J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879]
GtoPdb - - 7.5 pKi 31.6 nM Ki Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]
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 7.6 pKi 25.12 nM Ki J Med Chem (2020) 63: 1528-1543 [PMID:31860301]
ChEMBL Binding affinity to orexin receptor 1 (unknown origin) B 7.66 pKi 22 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718]
GtoPdb - - 6.4 pKi 400 nM Ki J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879]
OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614]
GtoPdb - - 5 pKi <10000 nM Ki J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879]
GtoPdb - - 5.7 pKi <2000 nM Ki Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]
ChEMBL Binding affinity to orexin receptor 2 (unknown origin) B 5.85 pKi 1405 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]
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 6.1 pKi 794.33 nM Ki J Med Chem (2020) 63: 1528-1543 [PMID:31860301]
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL Binding affinity to 5HT2B receptor (unknown origin) B 6.49 pKi 320 nM Ki Bioorg Med Chem Lett (2013) 23: 4761-4769 [PMID:23891187]

ChEMBL data shown on this page come from version 32:

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]