pitolisant [Ligand Id: 8924] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL462605 (Bf2.649, BF-2.649, BF-2649, BF2.649, HBS-101, Pitolisant, Tiprolisant, Wakix, Wakix, europe) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
| ChEMBL | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method | B | 5.07 | pIC50 | 8420 | nM | IC50 | Eur J Med Chem (2020) 185: 111785-111785 [PMID:31669851] |
| ChEMBL | Inhibition of equine serum BChE using BTCI as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric based Ellman's method | B | 5.08 | pIC50 | 8400 | nM | IC50 | Eur J Med Chem (2020) 207: 112743-112743 [PMID:32882609] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method | B | 5.77 | pIC50 | 1700 | nM | IC50 | Bioorg Med Chem (2017) 25: 5341-5354 [PMID:28797771] |
| H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367] | ||||||||
| GtoPdb | - | - | 5.78 | pKi | - | - | - | Pharmacol Rev (2015) 67: 601-55 [PMID:26084539] |
| ChEMBL | Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis | B | 5.94 | pKi | 1148.15 | nM | Ki | Eur J Med Chem (2014) 77: 269-279 [PMID:24650714] |
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysis | B | 7.52 | pKi | 30 | nM | Ki | Eur J Med Chem (2020) 207: 112743-112743 [PMID:32882609] |
| ChEMBL | Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells | B | 7.83 | pKi | 14.8 | nM | Ki | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| ChEMBL | Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by microbeta scintillation analysis | B | 7.92 | pKi | 12 | nM | Ki | Eur J Med Chem (2020) 207: 112743-112743 [PMID:32882609] |
| ChEMBL | Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method | B | 7.93 | pKi | 11.7 | nM | Ki | Bioorg Med Chem (2017) 25: 5341-5354 [PMID:28797771] |
| ChEMBL | Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins | B | 7.93 | pKi | 11.7 | nM | Ki | Eur J Med Chem (2020) 185: 111785-111785 [PMID:31669851] |
| ChEMBL | Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting analysis | B | 7.94 | pKi | 11.48 | nM | Ki | Eur J Med Chem (2014) 77: 269-279 [PMID:24650714] |
| ChEMBL | Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay | B | 7.94 | pKi | 11.48 | nM | Ki | Eur J Med Chem (2014) 86: 578-588 [PMID:25218907] |
| ChEMBL | Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competition binding assay | B | 7.95 | pKi | 11.3 | nM | Ki | Bioorg Med Chem (2021) 50: 116462-116462 [PMID:34695709] |
| ChEMBL | Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor stably transfected in HEK-293T cells membrane incubated for 90 mins by scintillation counting method | B | 8.1 | pKi | 8 | nM | Ki | Eur J Med Chem (2020) 191: 112150-112150 [PMID:32105981] |
| ChEMBL | Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells | B | 8.57 | pKi | 2.7 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5883-5886 [PMID:20727744] |
| ChEMBL | Displacement of [125I]iodoproxyfan human histamine H3 receptor | B | 8.57 | pKi | 2.7 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 5879-5882 [PMID:20728354] |
| ChEMBL | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells | B | 8.57 | pKi | 2.7 | nM | Ki | Eur J Med Chem (2009) 44: 4413-4425 [PMID:19577344] |
| ChEMBL | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells | B | 8.57 | pKi | 2.7 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 2172-2175 [PMID:19286376] |
| ChEMBL | Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in rat C6 cells | B | 8.57 | pKi | 2.7 | nM | Ki | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| ChEMBL | Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor after 60 mins by gamma counting method | B | 8.57 | pKi | 2.7 | nM | Ki | Bioorg Med Chem (2018) 26: 2573-2585 [PMID:29681486] |
| GtoPdb | Measured in a [125I]iodoproxyfan binding assay in cells exogenously expressing the human H3 receptor. | - | 8.57 | pKi | 2.7 | nM | Ki |
Pharmacol Rev (2015) 67: 601-55 [PMID:26084539]; Bioorg Med Chem (2009) 17: 3037-42 [PMID:19329325] |
| ChEMBL | Antagonist activity at histamine H3 receptor (unknown origin) | F | 8.6 | pKi | 2.51 | nM | Ki | Bioorg Med Chem (2021) 50: 116462-116462 [PMID:34695709] |
| ChEMBL | Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in CHO-K1 cells | B | 8.6 | pKi | 2.51 | nM | Ki | Bioorg Med Chem (2008) 16: 8729-8736 [PMID:18774720] |
| ChEMBL | Binding affinity in Nluc-hH3R assessed in HEK293T cells by NanoBRET binding assay | B | 8.6 | pKi | 2.51 | nM | Ki | J Med Chem (2021) 64: 11695-11708 [PMID:34309390] |
| ChEMBL | Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in CHO-K1 cells | B | 8.62 | pKi | 2.4 | nM | Ki | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| ChEMBL | Binding affinity in Nluc-hH3R assessed in HEK293 cells by NanoBRET binding assay | B | 9.04 | pKi | 0.91 | nM | Ki | J Med Chem (2021) 64: 11695-11708 [PMID:34309390] |
| ChEMBL | Binding affinity to human H3R | B | 9.52 | pKi | 0.3 | nM | Ki | Eur J Med Chem (2021) 213: 113041-113041 [PMID:33261900] |
| ChEMBL | Inhibition of human H3 receptor | B | 9.52 | pKi | 0.3 | nM | Ki | Eur J Med Chem (2018) 152: 223-234 [PMID:29723785] |
| ChEMBL | Binding affinity to human histamine H3 receptor | B | 9.52 | pKi | 0.3 | nM | Ki | Bioorg Med Chem (2017) 25: 2701-2712 [PMID:28372935] |
| ChEMBL | Antagonist activity at recombinant human H3 receptor expressed in CHO-K1 cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay | F | 9.8 | pKi | 0.16 | nM | Ki | Eur J Med Chem (2020) 205: 112667-112667 [PMID:32911308] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay | B | 9.8 | pKi | 0.16 | nM | Ki | J Med Chem (2009) 52: 3855-3868 [PMID:19456097] |
| ChEMBL | Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding | F | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (2008) 51: 6889-6901 [PMID:18841880] |
| H3 receptor/Histamine H3 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3263] [GtoPdb: 264] [UniProtKB: P58406] | ||||||||
| ChEMBL | Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method | B | 7.85 | pKi | 14 | nM | Ki | Bioorg Med Chem (2018) 26: 2573-2585 [PMID:29681486] |
| H3 receptor/Histamine H3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4124] [GtoPdb: 264] [UniProtKB: Q9QYN8] | ||||||||
| ChEMBL | Binding affinity to histamine H3 receptor in rat cerebral cortex | B | 7.77 | pKi | 17 | nM | Ki | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| ChEMBL | Displacement of [125I]-iodoproxyfan from rat brain cortex H3 receptor after 60 mins by gamma counting method | B | 7.77 | pKi | 17 | nM | Ki | Bioorg Med Chem (2018) 26: 2573-2585 [PMID:29681486] |
| ChEMBL | Binding affinity to rat histamine H3 receptor | B | 7.77 | pKi | 17 | nM | Ki | Bioorg Med Chem (2017) 25: 2701-2712 [PMID:28372935] |
| ChEMBL | Binding affinity to rat H3R | B | 7.77 | pKi | 17 | nM | Ki | Eur J Med Chem (2021) 213: 113041-113041 [PMID:33261900] |
| Histamine H3 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5076] [UniProtKB: Q9JI35] | ||||||||
| ChEMBL | Antagonist activity at histamine H3 receptor in isolated guinea pig ileum | F | 8.25 | pKd | 5.62 | nM | Kd | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay | F | 9.8 | pKi | 0.16 | nM | Ki | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| ChEMBL | Inhibition of Guinea Pig Ileum H3R | B | 9.8 | pKi | 0.16 | nM | Ki | Eur J Med Chem (2019) 181: 111569-111569 [PMID:31404862] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay | F | 8.82 | pEC50 | 1.5 | nM | EC50 | Bioorg Med Chem (2009) 17: 3037-3042 [PMID:19329325] |
| H4 receptor/Histamine H4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3759] [GtoPdb: 265] [UniProtKB: Q9H3N8] | ||||||||
| GtoPdb | - | - | 4 | pKi | >100000 | nM | Ki | Pharmacol Rev (2015) 67: 601-55 [PMID:26084539] |
| ChEMBL | Inhibition of human H4 receptor | B | 4 | pKi | >100000 | nM | Ki | Eur J Med Chem (2018) 152: 223-234 [PMID:29723785] |
| ChEMBL | Binding affinity to human H4R | B | 4 | pKi | >100000 | nM | Ki | Eur J Med Chem (2021) 213: 113041-113041 [PMID:33261900] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting analysis | B | 5 | pKi | >10000 | nM | Ki | Eur J Med Chem (2014) 77: 269-279 [PMID:24650714] |
| H2 receptor in Human [GtoPdb: 263] [UniProtKB: P25021] | ||||||||
| GtoPdb | - | - | 4.96 | pKi | - | - | - | Pharmacol Rev (2015) 67: 601-55 [PMID:26084539] |
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]
