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 | Binding affinity to human H3 receptor assessed as inhibition constant incubated for 90 mins by scintillation counting method | B | 4.87 | pKi | 13400 | nM | Ki | Bioorg Med Chem (2023) 78: 117132-117132 [PMID:36542960] |
| 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 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 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 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]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]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 expressed in HEK293 cells assessed as inhibition constant by competitive binding based radioligand depletion assay | B | 7.95 | pKi | 11.2 | nM | Ki | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| 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 | Binding affinity to SP-FLAG tagged human histamine H3 receptor expressed in HEK293T cells using sodium containing Leibovitz's L-15 medium incubated for 60 min by scintillation counter analysis | B | 8.43 | pKi | 3.71 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| ChEMBL | Displacement of N-alpha-[methyl-3H]-methylhistamine dihydrochloride from recombinant human histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 30 mins by liquid scintillation analysis | B | 8.52 | pKi | 3 | nM | Ki | Bioorg Med Chem Lett (2017) 27: 4525-4530 [PMID:28888822] |
| 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]-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] |
| 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 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] |
| 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 | 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]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 | 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 Clobenpropit-BODIPY-630/650 from Nluc-tagged human histamine H3 receptor expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay | B | 8.6 | pKi | 2.51 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| ChEMBL | Binding affinity to histamine H3 receptor (unknown origin) | B | 8.6 | pKi | 2.51 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| 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 | Displacement of [3H]UR-MN259 from SP-FLAG tagged human histamine H3 receptor expressed in HEK293T cells assessed as inhibition constant incubated for 60 min by scintillation counter analysis | B | 8.81 | pKi | 1.55 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| 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 | Binding affinity to human H3R assessed as inhibition constant | B | 9.8 | pKi | 0.16 | nM | Ki | Eur J Med Chem (2022) 243: 114742-114742 [PMID:36155354] |
| 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 | Inhibition of recombinant human histamine H3 receptor stably expressed in HEK293 cells assessed as increase in cAMP accumulation in presence of forskolin incubated for 30 mins by TR-FRET LANCE assay | F | 6.43 | pIC50 | 375 | nM | IC50 | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of imetit-stimulation ERK1/2 phosphorylation by ELISA analysis | B | 7.72 | pIC50 | 19 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4525-4530 [PMID:28888822] |
| 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] |
| ChEMBL | Inverse agonist activity at recombinant human histamine H3 receptor expressed in CHO-K1 cells preincubated for 10 mins followed by [35S]GTPgammaS addition and measured after 60 mins by TopCount NXT based scintillation analysis | B | 8.1 | pEC50 | 8 | nM | EC50 | Bioorg Med Chem Lett (2017) 27: 4525-4530 [PMID:28888822] |
| ChEMBL | Inverse agonist activity at human H3R | F | 8.82 | pEC50 | 1.5 | nM | EC50 | Eur J Med Chem (2022) 243: 114742-114742 [PMID:36155354] |
| 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] |
| Sigma-1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4153] [UniProtKB: Q60492] | ||||||||
| ChEMBL | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane assessed as inhibition constant by liquid scintillation counter analysis | B | 9.3 | pKi | 0.5 | nM | Ki | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver assessed as inhibition constant by liquid scintillation counter analysis | B | 8.19 | pKi | 6.5 | nM | Ki | J Med Chem (2023) 66: 9658-9683 [PMID:37418295] |
| 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 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]
