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ChEMBL ligand: CHEMBL291536 (SB-334867) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
ChEMBL | Binding affinity to adenosine 2A receptor (unknown origin) | B | 6.17 | pKi | 670 | nM | Ki | Bioorg Med Chem (2017) 25: 5203-5215 [PMID:28807572] |
OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613] | ||||||||
ChEMBL | Binding affinity to human OXIR | B | 7.32 | pKi | 48 | nM | Ki | ACS Med Chem Lett (2020) 11: 2002-2009 [PMID:33062185] |
GtoPdb | - | - | 7.4 | pKi | - | - | - | Br J Pharmacol (2009) 156: 1326-41 [PMID:19751316] |
ChEMBL | Displacement of N6,10-rhodamine green-tagged orexin-A from human OX1 receptor expressed in CHO cells measured after 30 mins by syto62 staining based laser scanning cytometry | B | 7.74 | pKi | 18 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5809-5814 [PMID:27818110] |
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 | 7.8 | pKi | 15.85 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
ChEMBL | Displacement of [125I]-orexin A from human OX1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting | B | 7.85 | pKi | 14 | nM | Ki | J Med Chem (2016) 59: 8263-8275 [PMID:27546834] |
GtoPdb | - | - | 7.9 | pKi | - | - | - |
Br J Pharmacol (2004) 141: 340-6 [PMID:14691055]; Bioorg Med Chem Lett (2001) 11: 1907-10 [PMID:11459658]; Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]; J Med Chem (2020) 63: 1528-1543 [PMID:31860301]; J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879] |
ChEMBL | Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assay | B | 4.74 | pIC50 | 18000 | nM | IC50 | Eur J Med Chem (2019) 181: 111569-111569 [PMID:31404862] |
ChEMBL | Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins by FLIPR assay | F | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3890-3894 [PMID:22617492] |
OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718] | ||||||||
GtoPdb | - | - | 6.84 | pKi | 144 | 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 | - | - | 5.2 | pKi | - | - | - | Br J Pharmacol (2009) 156: 1326-41 [PMID:19751316] |
ChEMBL | Binding affinity to human OX2R | B | 5.42 | pKi | 3781 | nM | Ki | ACS Med Chem Lett (2020) 11: 2002-2009 [PMID:33062185] |
ChEMBL | Binding affinity to human OX2 receptor expressed in CHO cells by fluorescence assay | B | 6.08 | pKi | 835 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5809-5814 [PMID:27818110] |
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 | 6.2 | pKi | 630.96 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
GtoPdb | - | - | 6.3 | pKi | - | - | - |
Bioorg Med Chem Lett (2001) 11: 1907-10 [PMID:11459658]; Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]; Br J Pharmacol (2014) 171: 351-63 [PMID:23692283]; J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879] |
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
ChEMBL | Binding affinity against 5-hydroxytryptamine 2B receptor | B | 5.4 | pKi | 3981.07 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1907-1910 [PMID:11459658] |
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
ChEMBL | Binding affinity against 5-hydroxytryptamine 2C receptor | B | 5.3 | pKi | <5011.87 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1907-1910 [PMID:11459658] |
ChEMBL | Binding affinity to 5HT2c receptor (unknown origin) | B | 5.92 | pKi | 1200 | nM | Ki | Bioorg Med Chem (2017) 25: 5203-5215 [PMID:28807572] |
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]