nicotine [Ligand Id: 2585] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3 (Habitrol, Nicabate, Nicoderm cq, Nicopass, Nicopatch, Nicorette invisi, Nicotine, Nicotinell classic, Nicotinell support, Nicotinell tts 10, Nicotinell tts 20, Nicotinell tts 30, Nicotrol, Nicotrol Inhaler, Nicotrol NS, Niquitin, Niquitin clr, Niquitin minis cherry, Niquitin minis mint, Niquitin minis orange, Niquitin mint, Niquitin pre-quit, Niquitin strips mint, Prostep, Stoppers, Stubit) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein in Lymnaea stagnalis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6084] [UniProtKB: P58154] | ||||||||
| ChEMBL | Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay | B | 6.32 | pKd | 478.63 | nM | Kd | J Med Chem (2010) 53: 7192-7201 [PMID:20828128] |
| ChEMBL | Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis | B | 6.49 | pKd | 320 | nM | Kd | Eur J Med Chem (2015) 102: 425-444 [PMID:26301559] |
| ChEMBL | Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis | B | 6.5 | pKd | 316.23 | nM | Kd | Eur J Med Chem (2015) 102: 425-444 [PMID:26301559] |
| ChEMBL | Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP | B | 6.3 | pKi | 496 | nM | Ki | J Med Chem (2012) 55: 8028-8037 [PMID:22928944] |
| ChEMBL | Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system | B | 6.48 | pKi | 331.13 | nM | Ki | J Med Chem (2010) 53: 7192-7201 [PMID:20828128] |
| ChEMBL | Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting | B | 6.5 | pKi | 316.23 | nM | Ki | Bioorg Med Chem (2011) 19: 6107-6119 [PMID:21920761] |
| ChEMBL | Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting | B | 6.5 | pKi | 316.23 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1448-1454 [PMID:22243960] |
| ChEMBL | Binding affinity to freshwater snail Lymnaea stagnalis AChBP assessed as [3H]EPI binding by radioligand binding assay | B | 7 | pKi | 100 | nM | Ki | J Agric Food Chem (2011) 59: 2825-2828 [PMID:21341671] |
| ChEMBL | Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 7.08 | pKi | 83.18 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 7.08 | pKi | 83 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP | B | 7.2 | pKi | 63.1 | nM | Ki | J Med Chem (2009) 52: 2372-2383 [PMID:19331415] |
| Acetylcholine receptor in Torpedo californica (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2096975] [UniProtKB: P02710, P02712, P02714, P02718] | ||||||||
| ChEMBL | Binding potency for nAChR subtype Alpha-1-beta-1-delta-gamma (torpedo) | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax | B | 5.2 | pKi | 6270 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| ChEMBL | inhibition of (-)-[3H]nicotine binding to torpedo electroplax membranes | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (1988) 31: 506-509 [PMID:3346870] |
| ChEMBL | Inhibition of [3H]MCC binding to torpedo electroplax membranes | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (1988) 31: 506-509 [PMID:3346870] |
| ChEMBL | Functional potency for nAChR subtype Alpha-1-beta-1-delta gamma(torpedo) | B | 4.22 | pEC50 | 60000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor δ subunit/Acetylcholine receptor; alpha1/beta1/delta/gamma in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907588] [GtoPdb: 462, 475, 471, 476] [UniProtKB: P02708, P07510, P11230, Q07001] | ||||||||
| ChEMBL | Binding affinity to human Nicotinic acetylcholine receptor alpha-1-beta-gamma-delta expressed in HEK 293 cells using [3H]alpha-bungarotoxin | B | 5.2 | pKi | 6270 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | In vitro Binding affinity towards alpha-1-beta-1-gamma delta nAChR was determined | B | 5.26 | pKi | 5500 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 319-321 [PMID:11212100] |
| ChEMBL | Binding affinity to alpha-1-beta-gamma-delta nicotinic receptor | B | 5.83 | pKi | 1480 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 4749-4752 [PMID:20663668] |
| ChEMBL | Antagonist activity at human alpha1beta1gammadelta nAChR expressed in human TE671/RD cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Agonist activity at human alpha1beta1gammadelta nAChR expressed in human TE671/RD cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6 | pEC50 | >1000 | nM | EC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| Acetylcholine receptor protein alpha chain in Torpedo californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3097] [UniProtKB: P02710] | ||||||||
| ChEMBL | Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs | B | 4.64 | pIC50 | 23100 | nM | IC50 | J Pestic Sci (1995) 20: 33-40 |
| ChEMBL | Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs membranes by scintillation counting method | B | 4.64 | pIC50 | 23100 | nM | IC50 | J Pestic Sci (1995) 20: 49-56 |
| nicotinic acetylcholine receptor α1 subunit/Acetylcholine receptor protein alpha chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4808] [GtoPdb: 462] [UniProtKB: P02708] | ||||||||
| ChEMBL | Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta1 nicotinic acetylcholine receptor subunits | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Agric Food Chem (2000) 48: 6016-6024 [PMID:11312774] |
| Acetylcholine receptor subunit beta-like 2 in Drosophila melanogaster (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366470] [UniProtKB: P25162] | ||||||||
| ChEMBL | Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay | B | 5.57 | pKi | 2700 | nM | Ki | J Agric Food Chem (2011) 59: 2825-2828 [PMID:21341671] |
| ChEMBL | Inhibition of [3H]IMI binding to Drosophila melanogaster neuronal acetylcholine receptor | B | 5.4 | pIC50 | 4000 | nM | IC50 | J Agric Food Chem (2000) 48: 6016-6024 [PMID:11312774] |
| CYP2A6/Cytochrome P450 2A6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5282] [GtoPdb: 1321] [UniProtKB: P11509] | ||||||||
| ChEMBL | Inhibition of human CYP2A6 expressed in insect cell membranes assessed as reduction in enzyme-mediated coumarin 7-hydroxylation in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system by fluorometry | B | 5.36 | pKi | 4400 | nM | Ki | US-8609708-B2. Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer (2013) |
| ChEMBL | Inhibition Assay: The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay (Greenlee et al., J Pharmacol Exp Ther, 1978). Our first studies were with highly purified human CYP2A6 that provided a convenient and relatively high-throughput measure of CYP2A6 inhibition. | B | 4.58 | pIC50 | 26300 | nM | IC50 | US-8609708-B2. Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer (2013) |
| ChEMBL | Inhibition of human CYP2A6 expressed in insect cell microsomes assessed as reduction in enzyme-mediated coumarin 7-hydroxylation | B | 4.58 | pIC50 | 26300 | nM | IC50 | US-8609708-B2. Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer (2013) |
| Lycopene cyclase in Pantoea ananas (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2285356] [UniProtKB: P21687] | ||||||||
| ChEMBL | Inhibition of Pantoea ananatis lycopene cyclase | B | 5.32 | pIC50 | 4800 | nM | IC50 | J Pestic Sci (1998) 23: 113-116 |
| nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor ε subunit/nicotinic acetylcholine receptor δ subunit/Muscle-type nicotinic acetylcholine receptor in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2362997] [GtoPdb: 462, 475, 471, 477, 476] [UniProtKB: P02708, P07510, P11230, Q04844, Q07001] | ||||||||
| ChEMBL | The compound was tested on recombinant human alpha-1-beta-1-gamma-delta cell lines of human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency | F | 4.19 | pEC50 | 65000 | nM | EC50 | J Med Chem (1996) 39: 3235-3237 [PMID:8765504] |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor α6 subunit/nicotinic acetylcholine receptor α9 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α10 subunit in Human [GtoPdb: 464, 465, 463, 472, 473, 474, 466, 467, 469, 468, 470] [UniProtKB: P32297, P43681, Q15822, P17787, Q05901, P30926, P30532, Q15825, Q9UGM1, P36544, Q9GZZ6] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| GtoPdb | In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine. | - | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor α6 subunit/nicotinic acetylcholine receptor α9 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α10 subunit/Neuronal acetylcholine receptor in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094110] [GtoPdb: 464, 465, 463, 472, 473, 474, 466, 467, 469, 468, 470] [UniProtKB: P04757, P09483, P12389, P12390, P12391, P12392, P20420, P43143, P43144, Q05941, Q9JLB5] | ||||||||
| ChEMBL | Compounds was evaluated in vitro for ability to enhance and inhibit the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 4 | B | 4.35 | pKd | 45000 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Compounds was evaluated for ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 4 | B | 4.96 | pKd | 11000 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 3. | B | 6.37 | pKd | 430 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 2 | B | 8 | pKd | 10 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Kapp value towards nicotinic acetylcholine receptor was obtained from three to four independent competition binding experiments using [3H]-NCEPB | B | 8.21 | pKd | 6.2 | nM | K app | J Med Chem (1997) 40: 2293-2295 [PMID:9240344] |
| ChEMBL | Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 3. | B | 8.28 | pKd | 5.2 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Compound was evaluated for ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 1 | B | 10.66 | pKd | 0.02 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 2 | B | 11 | pKd | 0.01 | nM | Kd | J Med Chem (1985) 28: 1245-1251 [PMID:4032427] |
| ChEMBL | Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue | B | 7.57 | pKi | 27 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 271-273 [PMID:14684341] |
| ChEMBL | Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand | B | 7.89 | pKi | 13 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Binding affinity for Nicotinic acetylcholine receptor site in rat cortex was determined using [3H]MCC as radioligand | B | 8.08 | pKi | 8.4 | nM | Ki | Bioorg Med Chem Lett (1994) 4: 573-578 |
| ChEMBL | Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brain | B | 8.62 | pKi | 2.4 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 2917-2920 [PMID:14611857] |
| ChEMBL | Binding affinity towards nicotinic acetylcholine receptor using [3H]nicotine as radioligand in rat brain homogenates | B | 8.89 | pKi | 1.3 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 1989-1992 [PMID:12113825] |
| ChEMBL | Ability to displace [3H](-)-cytisine from nicotinic acetylcholine receptor (nAChR) in a whole rat brain preparation | B | 8.94 | pKi | 1.15 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 991-996 |
| ChEMBL | Tested for the binding affinity against neuronal nicotinic acetylcholine receptors from whole rat brain | B | 8.94 | pKi | 1.15 | nM | Ki | J Med Chem (1994) 37: 3542-3553 [PMID:7932582] |
| ChEMBL | In vitro binding affinity to neuronal nAChRs was determined by measuring the displacement of [3H]cytisine in rat brain | B | 8.96 | pKi | 1.1 | nM | Ki | J Med Chem (1994) 37: 4455-4463 [PMID:7799396] |
| ChEMBL | Binding affinity values obtained by measuring the displacement of radioligand [3H](-)-cytisine from a preparation of whole rat brain | B | 9 | pKi | 1 | nM | Ki | J Med Chem (1997) 40: 385-390 [PMID:9022806] |
| ChEMBL | Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]cytisine from a preparation of whole rat brain. | B | 9 | pKi | 1 | nM | Ki | J Med Chem (1996) 39: 817-825 [PMID:8632405] |
| ChEMBL | Tested for neuronal nicotinic acetylcholine receptor (nAChR) binding in a whole rat brain preparation using [3H]cystine as the radioligand. | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2703-2708 |
| ChEMBL | Inhibition of (-)-[3H]nicotine binding to rat brain membranes | B | 8.15 | pIC50 | 7 | nM | IC50 | J Med Chem (1988) 31: 506-509 [PMID:3346870] |
| ChEMBL | In vitro displacement of [3H]methylcarbamylcholine from nicotinic acetylcholine receptor in rat brain cortex | B | 8.18 | pIC50 | 6.6 | nM | IC50 | J Med Chem (1999) 42: 4970-4980 [PMID:10585207] |
| ChEMBL | Inhibitory concentration required for in vitro binding affinity to cholinergic central Nicotinic acetylcholine receptor on rat brain cortex by using [3H]MCC | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 1963-1968 |
| ChEMBL | Inhibition of [3H]MCC binding to rat brain membranes | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (1988) 31: 506-509 [PMID:3346870] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic) | B | 4.7 | pEC50 | 20000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α2 subunit/Neuronal acetylcholine receptor; alpha2/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2109236] [GtoPdb: 472, 463] [UniProtKB: P17787, Q15822] | ||||||||
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 7.92 | pKi | 12 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis | B | 8.26 | pKi | 5.5 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha2/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907592] [GtoPdb: 463, 472] [UniProtKB: P12389, P12390] | ||||||||
| ChEMBL | Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 7.82 | pKi | 15 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine | B | 7.92 | pKi | 12 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4385-4388 [PMID:16039849] |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha2beta2 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 7.92 | pKi | 12 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2 | B | 7.92 | pKi | 12 | nM | Ki | J Med Chem (2003) 46: 921-924 [PMID:12620069] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells after 4 hrs | B | 7.92 | pKi | 12 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Binding affinity towards nicotinic acetylcholine receptor alpha2-beta2 using [3H]epibatidine | B | 7.92 | pKi | 12 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1855-1859 [PMID:15050615] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha2beta2 nAChR by competition binding assay | B | 8.26 | pKi | 5.5 | nM | Ki | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Displacement of [3H]epibatidine from rat nAChR alpha2beta2 | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta2 receptor | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha2beta2 nAChR by beta scintillation counting | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]Epibatidine from rat alpha2beta2 nACHR by liquid scintillation counting analysis | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α2 subunit/Neuronal acetylcholine receptor; alpha2/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2109230] [GtoPdb: 474, 463] [UniProtKB: P30926, Q15822] | ||||||||
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 6.96 | pKi | 110 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells | B | 6.99 | pKi | 103 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 271-273 [PMID:14684341] |
| ChEMBL | Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis | B | 7.15 | pKi | 70 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha2/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907590] [GtoPdb: 463, 474] [UniProtKB: P12389, P12392] | ||||||||
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine | B | 6.95 | pKi | 112 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1855-1859 [PMID:15050615] |
| ChEMBL | Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta4 | B | 6.95 | pKi | 112 | nM | Ki | J Med Chem (2003) 46: 921-924 [PMID:12620069] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | B | 6.96 | pKi | 110 | nM | Ki | Bioorg Med Chem (2009) 17: 4367-4377 [PMID:19481945] |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha2beta4 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine | B | 6.96 | pKi | 110 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4385-4388 [PMID:16039849] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells after 4 hrs | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha2beta4 nAChR by competition binding assay | B | 7.15 | pKi | 70 | nM | Ki | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Displacement of [3H]epibatidine from rat nAChR alpha2beta4 | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta4 receptor | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha2beta4 nAChR by beta scintillation counting | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta4 nACHR | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | Displacement of [3H]Epibatidine from rat alpha2beta4 nACHR by liquid scintillation counting analysis | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor α6 subunit/Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2109233] [GtoPdb: 472, 464, 473, 467] [UniProtKB: P17787, P32297, Q05901, Q15825] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | Antagonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux preincubated for 10 mins by liquid scintillation counting analysis | B | 7.07 | pIC50 | 84.8 | nM | IC50 | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Agonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in human SHEP1 cells assessed as stimulation of 86Rb+ ion efflux after 5 mins by liquid scintillation counting analysis | B | 6.9 | pEC50 | 127 | nM | EC50 | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2109234] [GtoPdb: 472, 464] [UniProtKB: P17787, P32297] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2 | B | 7.33 | pKi | 47 | nM | Ki | J Med Chem (2005) 48: 1721-1724 [PMID:15771418] |
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 7.33 | pKi | 47 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Binding affinity to alpha3beta2 nAChR by PDSP assay | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Displacement of [3H]epibatidine from alpha3beta2 nAChR after 4 hrs by liquid scintillation counting analysis | B | 7.54 | pKi | 29 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| ChEMBL | Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using [3H]-MCC | B | 8.42 | pIC50 | 3.8 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 1963-1968 |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907587] [GtoPdb: 464, 472] [UniProtKB: P04757, P12390] | ||||||||
| ChEMBL | Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta2 | B | 7.33 | pKi | 47 | nM | Ki | J Med Chem (2003) 46: 921-924 [PMID:12620069] |
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta2 using [3H]epibatidine | B | 7.33 | pKi | 47 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1855-1859 [PMID:15050615] |
| ChEMBL | In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine | B | 7.33 | pKi | 47 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4385-4388 [PMID:16039849] |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha3beta2 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 7.33 | pKi | 47 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | B | 7.33 | pKi | 47 | nM | Ki | Bioorg Med Chem (2009) 17: 4367-4377 [PMID:19481945] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells after 4 hrs | B | 7.33 | pKi | 47 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 7.37 | pKi | 43 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha3beta2 nAChR by competition binding assay | B | 7.54 | pKi | 29 | nM | Ki | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Displacement of [3H]epibatidine from rat nAChR alpha3beta2 | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta2 receptor | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha3beta2 nAChR by beta scintillation counting | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta2 nACHR | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | Displacement of [3H]Epibatidine from rat alpha3beta2 nACHR by liquid scintillation counting analysis | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1245-1248 [PMID:11354387] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907594] [GtoPdb: 474, 464] [UniProtKB: P30926, P32297] | ||||||||
| ChEMBL | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method | B | 5.76 | pKi | 1744.44 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | Binding affinity to alpha3beta4 nAChR (unknown origin) | B | 6.28 | pKi | 530 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Inhibition of [3H]epibatidine binding to nicotinic acetylcholine receptor alpha3-beta4 of human IMR32 cells | B | 6.28 | pKi | 530 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| ChEMBL | Binding affinity to human Nicotinic acetylcholine receptor alpha3-beta4 expressed in IMR32 cells using [3H]epibatidine | B | 6.28 | pKi | 530 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | Inhibition of [3H]epibatidine binding to nicotinic acetylcholine receptor alpha3-beta4 of IMR32 cells | B | 6.28 | pKi | 530 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 6.36 | pKi | 440 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Displacement of [3H]Epibatidine from human alpha3beta4 nACHR expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis | B | 6.4 | pKi | 400 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3927-3934 [PMID:23692872] |
| ChEMBL | Displacement of [3H]epibatidine from alpha3beta4 nAChR in human SH-SY5Y cells after 2 hrs by liquid scintillation counting | B | 6.4 | pKi | 400 | nM | Ki | J Med Chem (2012) 55: 9181-9194 [PMID:22793665] |
| ChEMBL | Displacement of [3H]epibatidine from alpha3beta4 nicotinic receptor expressed in human HEK293 cells | B | 6.4 | pKi | 394 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 4749-4752 [PMID:20663668] |
| ChEMBL | Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells | B | 6.49 | pKi | 320 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 271-273 [PMID:14684341] |
| ChEMBL | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes by liquid scintillation counting method | B | 6.58 | pKi | 261 | nM | Ki | J Med Chem (2015) 58: 6665-6677 [PMID:26225816] |
| ChEMBL | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cells pretreated for 5 mins followed by [3H]epibatidine addition after overnight incubation by beta counter | B | 6.58 | pKi | 261 | nM | Ki | Eur J Med Chem (2017) 125: 1132-1144 [PMID:27810599] |
| ChEMBL | Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 cell membranes preincubated for 5 mins followed by [3H]-epibatidine addition and measured after overnight incubation by liquid scintillation beta counter analysis | B | 6.58 | pKi | 261 | nM | Ki | J Med Chem (2020) 63: 15668-15692 [PMID:33325696] |
| ChEMBL | Binding affinity to alpha3beta4 nAChR by PDSP assay | B | 6.59 | pKi | 260 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Displacement of [3H]epibatidine from alpha3beta4 nAChR after 4 hrs by liquid scintillation counting analysis | B | 6.59 | pKi | 260 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| ChEMBL | Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubation with [3H]-epibatine by liquid scintillation counting analysis | B | 6.59 | pKi | 260 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5613-5617 [PMID:27818109] |
| ChEMBL | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK cells | B | 6.59 | pKi | 260 | nM | Ki | J Nat Prod (2013) 76: 727-731 [PMID:23461628] |
| ChEMBL | Binding affinity to human alpha3beta4 nAChR | B | 8.3 | pKi | 5 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Functional Assay: IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes. The functional activity of each ligand was measured for its agonism, antagonism and desensitization ability. Agonist activity for each of the ligands was tested at eight different concentrations. The responses were compared to that stimulated by 100 μM (−)-nicotine, a near maximally effective concentration. The potency (IC50(0′)) of each ligand as an antagonist was derived from the full concentration-effect curves. We determined the desensitization potency of each ligand by pre-treating cells with the test compound for 10 minutes before 100 μM (−)-nicotine was applied. The potency of a ligand to desensitize the receptor after a 10 minute exposure (IC50(10′) was obtained with full concentration-effect curves using at least 8 concentrations of the ligand. | B | 5 | pIC50 | >10000 | nM | IC50 | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Antagonist activity at human alpha3beta4 nAChR expressed in human SH-SY5Y cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Inhibition of human alpha4beta2 nACHR expressed in SH-EP1 cells by 86Rb+ efflux assay | B | 6.37 | pIC50 | 430 | nM | IC50 | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency | F | 4.29 | pEC50 | 51000 | nM | EC50 | J Med Chem (1996) 39: 3235-3237 [PMID:8765504] |
| ChEMBL | Functional Assay: The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes. The functional activity of each ligand was measured for its agonism, antagonism and desensitization ability. Agonist activity for each of the ligands was tested at eight different concentrations. The responses were compared to that stimulated by 100 μM (−)-nicotine, a near maximally effective concentration. The full concentration-effect curves generated potency (EC50) and efficacy (Emax) of each ligand. | B | 4.64 | pEC50 | 23000 | nM | EC50 | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic) | B | 4.68 | pEC50 | 21000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Agonist activity at alpha-3-beta-4 nAChR in KXalpha-3-beta-4R2 cells by rubidium efflux assay | F | 4.7 | pEC50 | 19830 | nM | EC50 | J Med Chem (2004) 47: 6691-6701 [PMID:15615518] |
| ChEMBL | Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay | F | 5.03 | pEC50 | 9400 | nM | EC50 | Bioorg Med Chem Lett (2009) 19: 1682-1685 [PMID:19232492] |
| ChEMBL | Agonist activity at recombinant human alpha-3-beta-4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay | F | 5.1 | pEC50 | 8000 | nM | EC50 | J Med Chem (2007) 50: 5493-5508 [PMID:17929796] |
| ChEMBL | Agonist activity at recombinant human alpha-3-beta-4 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay | F | 5.1 | pEC50 | 7943.28 | nM | EC50 | J Med Chem (2007) 50: 5493-5508 [PMID:17929796] |
| ChEMBL | Agonist activity at human alpha3beta4 nACHR expressed in CHO cell membranes assessed as stimulation of calcium flux by FLIPR assay | B | 5.15 | pEC50 | 7000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 3927-3934 [PMID:23692872] |
| ChEMBL | Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium flux by calcium4-based FLIPR assay | F | 5.15 | pEC50 | 7000 | nM | EC50 | J Med Chem (2012) 55: 9181-9194 [PMID:22793665] |
| ChEMBL | Agonistic potency against nicotinic acetylcholine receptor alpha3-beta4 | F | 5.37 | pEC50 | 4300 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 271-273 [PMID:14684341] |
| ChEMBL | Agonist activity at human alpha3beta4 nAChR expressed in human SH-SY5Y cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6 | pEC50 | >1000 | nM | EC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Agonist activity at human alpha4beta2 nACHR expressed in SH-EP1 cells by 86Rb+ efflux assay | F | 6.54 | pEC50 | 290 | nM | EC50 | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907593] [GtoPdb: 464, 474] [UniProtKB: P04757, P12392] | ||||||||
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells | B | 6.2 | pKi | 630.96 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells | B | 6.22 | pKi | 600 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand | B | 6.28 | pKi | 530 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs | B | 6.32 | pKi | 481 | nM | Ki | J Med Chem (2010) 53: 8187-8191 [PMID:20979364] |
| ChEMBL | Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4 | B | 6.35 | pKi | 443 | nM | Ki | J Med Chem (2005) 48: 1721-1724 [PMID:15771418] |
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine | B | 6.35 | pKi | 443 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1855-1859 [PMID:15050615] |
| ChEMBL | Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta4 | B | 6.35 | pKi | 443 | nM | Ki | J Med Chem (2003) 46: 921-924 [PMID:12620069] |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha3beta4 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 6.36 | pKi | 440 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 using 0.5 nM [3H]epibatidine | B | 6.36 | pKi | 440 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4385-4388 [PMID:16039849] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | B | 6.36 | pKi | 440 | nM | Ki | Bioorg Med Chem (2009) 17: 4367-4377 [PMID:19481945] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs | B | 6.36 | pKi | 440 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method | B | 6.54 | pKi | 290 | nM | Ki | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method | B | 6.54 | pKi | 288.4 | nM | Ki | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha3beta4 nAChR by beta scintillation counting | B | 6.59 | pKi | 260 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta4 nACHR | B | 6.59 | pKi | 260 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR receptor | B | 6.59 | pKi | 260 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Displacement of [3H]Epibatidine from rat alpha3beta4 nACHR by liquid scintillation counting analysis | B | 6.59 | pKi | 260 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Displacement of [3H]epibatidine from rat nAChR alpha3beta4 | B | 6.59 | pKi | 260 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha3beta4 nAChR by competition binding assay | B | 6.59 | pKi | 260 | nM | Ki | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 6.6 | pKi | 251.19 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 6.6 | pKi | 250 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cell membrane | B | 6.64 | pKi | 230 | nM | Ki | ACS Med Chem Lett (2015) 6: 472-475 [PMID:25941557] |
| ChEMBL | Displacement of [3H]epibatidine from recombinant rat alpha-3-beta-4 nAChr in HEK293 cell line | B | 6.66 | pKi | 220 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]epibatidine from recombinant rat alpha-3-beta-4 nAChr in HEK293 cell line | B | 6.7 | pKi | 199.53 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Desensitization of rat alpha3beta4 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2 hrs by liquid scintillation counting analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exposure by liquid scintillation counting | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Effective concentration against rat alpha3-beta4 nicotinic acetylcholine receptor | B | 4.07 | pEC50 | 86000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 3874-3880 [PMID:16005216] |
| ChEMBL | Agonist activity at rat alpha3beta4 nACHR expressed in human HEK293 cells by rubidium efflux assay | F | 4.46 | pEC50 | 35000 | nM | EC50 | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| ChEMBL | Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as stimulation of [86Rb+] efflux after 2 mins by liquid scintillation counting | B | 4.62 | pEC50 | 24000 | nM | EC50 | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Agonist activity at rat alpha3beta4 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis | B | 4.64 | pEC50 | 23000 | nM | EC50 | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Agonist activity at rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cells by FMP assay | B | 5.82 | pEC50 | 1513.56 | nM | EC50 | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Agonist activity at rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cells by FMP assay | B | 5.82 | pEC50 | 1500 | nM | EC50 | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907589] [GtoPdb: 472, 465] [UniProtKB: P17787, P43681] | ||||||||
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2073-2077 [PMID:15808471] |
| ChEMBL | Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting | B | 7.9 | pKi | 12.59 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1448-1454 [PMID:22243960] |
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 8 | pKi | 10 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells | B | 8.02 | pKi | 9.46 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 4749-4752 [PMID:20663668] |
| ChEMBL | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells | B | 8.04 | pKi | 9.1 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 271-273 [PMID:14684341] |
| ChEMBL | Binding affinity to alpha2beta2 nAChR by PDSP assay | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Binding affinity to alpha4beta2 nAChR by PDSP assay | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR after 4 hrs by liquid scintillation counting analysis | B | 8.31 | pKi | 4.9 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| ChEMBL | Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]bungarotoxin as radioligand | B | 8.4 | pKi | 4 | nM | Ki | J Med Chem (1999) 42: 3066-3074 [PMID:10447950] |
| ChEMBL | In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined | B | 8.64 | pKi | 2.3 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 319-321 [PMID:11212100] |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method | B | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| GtoPdb | In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine. | - | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates | B | 8.68 | pKi | 2.1 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 523-526 [PMID:14698195] |
| ChEMBL | Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1841-1844 [PMID:15050612] |
| ChEMBL | Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2012) 55: 9181-9194 [PMID:22793665] |
| ChEMBL | Potency to displace [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2002) 45: 2832-2840 [PMID:12061885] |
| ChEMBL | Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3927-3934 [PMID:23692872] |
| ChEMBL | Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2012) 55: 9793-9809 [PMID:23126648] |
| ChEMBL | Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine | B | 8.8 | pKi | 1.6 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR by Cheng-Prusoff equation analysis | B | 8.8 | pKi | 1.6 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand | B | 8.8 | pKi | 1.6 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2007) 50: 6383-6391 [PMID:17994682] |
| ChEMBL | Displacement of [125I] alpha bungarotoxin from human neuronal alpha4beta2 nAChR expressed in human SH-SY5Y cell membrane measured after 120 mins by Topcount scintillation counting method | B | 8.82 | pKi | 1.5 | nM | Ki | Eur J Med Chem (2020) 200: 112403-112403 [PMID:32447198] |
| ChEMBL | Displacement of [3H]cytisine from alpha4beta2 nAChR expressed in human recombinant SH-SY5Y cell membranes after 120 mins | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2017) 60: 9239-9250 [PMID:29094937] |
| ChEMBL | Affinity for nicotinic acetylcholine receptor alpha4-beta2 | B | 8.92 | pKi | 1.2 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 3651-3654 [PMID:15203136] |
| ChEMBL | Inhibition of alpha4beta2 nicotinic acetylcholine receptor (unknown origin) | B | 8.98 | pKi | 1.05 | nM | Ki | Med Chem Res (2005) 14: 241-259 |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human K177 cell membrane incubated for 75 mins by liquid scintillation spectroscopy | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR (unknown origin) | B | 9 | pKi | <1 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analysis | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem (2013) 21: 2687-2694 [PMID:23561269] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR (unknown origin) | B | 10.35 | pKi | 0.04 | nM | Ki | Eur J Med Chem (2018) 152: 401-416 [PMID:29751234] |
| ChEMBL | Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincubated for 10 mins prior to carbamylcholine-induction measured after 5 mins by flip-plate technique | F | 6.37 | pIC50 | 430 | nM | IC50 | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Inactivation of human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay | B | 6.37 | pIC50 | 430 | nM | IC50 | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux by liquid scintillation counting | F | 6.37 | pIC50 | 430 | nM | IC50 | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Inactivation of nAChR alpha4beta2 in human SH-EP1 cells | B | 6.37 | pIC50 | 430 | nM | IC50 | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Antagonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux preincubated for 10 mins by liquid scintillation counting analysis | B | 6.37 | pIC50 | 430 | nM | IC50 | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6.37 | pIC50 | 427 | nM | IC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6.37 | pIC50 | 426.58 | nM | IC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Inactivation of human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay | B | 6.4 | pIC50 | 398.11 | nM | IC50 | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2 hrs by liquid scintillation counting analysis | B | 6.43 | pIC50 | 370 | nM | IC50 | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Functional Assay: IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes. The functional activity of each ligand was measured for its agonism, antagonism and desensitization ability. Agonist activity for each of the ligands was tested at eight different concentrations. The responses were compared to that stimulated by 100 μM (−)-nicotine, a near maximally effective concentration. The potency (IC50(0′)) of each ligand as an antagonist was derived from the full concentration-effect curves. We determined the desensitization potency of each ligand by pre-treating cells with the test compound for 10 minutes before 100 μM (−)-nicotine was applied. The potency of a ligand to desensitize the receptor after a 10 minute exposure (IC50(10′) was obtained with full concentration-effect curves using at least 8 concentrations of the ligand. | B | 6.43 | pIC50 | 370 | nM | IC50 | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Antagonist activity at human alpha4beta2 nAChR assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exposure by cell-based liquid scintillation counting | B | 6.43 | pIC50 | 370 | nM | IC50 | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR by radioligand competition analysis | B | 8.31 | pIC50 | 4.9 | nM | IC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analysis | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem (2013) 21: 2687-2694 [PMID:23561269] |
| ChEMBL | Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay | F | 5.03 | pEC50 | 9400 | nM | EC50 | J Med Chem (2007) 50: 3627-3644 [PMID:17585748] |
| ChEMBL | Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay | F | 5.03 | pEC50 | 9332.54 | nM | EC50 | J Med Chem (2007) 50: 3627-3644 [PMID:17585748] |
| ChEMBL | Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay | F | 5.18 | pEC50 | 6606.93 | nM | EC50 | J Med Chem (2007) 50: 5493-5508 [PMID:17929796] |
| ChEMBL | Agonist activity at human recombinant alpha4beta2 nicotinic acetylcholine receptor expressed in HEK293 cells assessed as changes in intracellular calcium level by FLIPR | F | 5.18 | pEC50 | 6600 | nM | EC50 | J Med Chem (2009) 52: 4126-4141 [PMID:19552432] |
| ChEMBL | Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay | F | 5.18 | pEC50 | 6600 | nM | EC50 | J Med Chem (2007) 50: 5493-5508 [PMID:17929796] |
| ChEMBL | Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells | B | 5.3 | pEC50 | 5000 | nM | EC50 | Bioorg Med Chem Lett (1998) 8: 249-254 [PMID:9871663] |
| ChEMBL | Tested for functional activity against neuronal nicotinic acetylcholine receptor(nAChR) expressed in K177 cells using isotopic rubidium efflux assay. | F | 5.3 | pEC50 | 5000 | nM | EC50 | Bioorg Med Chem Lett (1997) 7: 2703-2708 |
| ChEMBL | Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay | F | 5.33 | pEC50 | 4700 | nM | EC50 | Bioorg Med Chem Lett (2009) 19: 1682-1685 [PMID:19232492] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2 | B | 5.4 | pEC50 | 4000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay | F | 5.52 | pEC50 | 3000 | nM | EC50 | J Med Chem (2012) 55: 9181-9194 [PMID:22793665] |
| ChEMBL | Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as stimulation of calcium flux by FLIPR assay | B | 5.52 | pEC50 | 3000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 3927-3934 [PMID:23692872] |
| ChEMBL | Functional Assay: The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes. The functional activity of each ligand was measured for its agonism, antagonism and desensitization ability. Agonist activity for each of the ligands was tested at eight different concentrations. The responses were compared to that stimulated by 100 μM (−)-nicotine, a near maximally effective concentration. The full concentration-effect curves generated potency (EC50) and efficacy (Emax) of each ligand. | B | 5.62 | pEC50 | 2400 | nM | EC50 | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR assessed as stimulation of [86Rb+] efflux after 2 mins by cell-based liquid scintillation counting | B | 5.62 | pEC50 | 2400 | nM | EC50 | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis | B | 5.62 | pEC50 | 2400 | nM | EC50 | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | The compound was tested on recombinant human alpha4-beta2 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency | F | 5.68 | pEC50 | 2100 | nM | EC50 | J Med Chem (1996) 39: 3235-3237 [PMID:8765504] |
| ChEMBL | Agonist activity at human brain alpha4beta2 nAChR expressed in CHO cells by patch clamp electrophysiological assay | B | 6.1 | pEC50 | 800 | nM | EC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay | B | 6.5 | pEC50 | 316.23 | nM | EC50 | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay | B | 6.52 | pEC50 | 300 | nM | EC50 | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux | F | 6.52 | pEC50 | 300 | nM | EC50 | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6.53 | pEC50 | 295.12 | nM | EC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting | F | 6.53 | pEC50 | 295 | nM | EC50 | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique | F | 6.54 | pEC50 | 290 | nM | EC50 | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Agonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as stimulation of 86Rb+ ion efflux after 5 mins by liquid scintillation counting analysis | B | 6.54 | pEC50 | 290 | nM | EC50 | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as increase of carbamylcholine-induced 86Rb+ ion efflux by liquid scintillation counting | F | 6.54 | pEC50 | 290 | nM | EC50 | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Agonist activity at alpha4beta 2 nAChR | F | 9 | pEC50 | 1 | nM | EC50 | J Med Chem (2012) 55: 4605-4618 [PMID:22591063] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907596] [GtoPdb: 465, 472] [UniProtKB: P09483, P12390] | ||||||||
| ChEMBL | Inhibition of [3H](-)-nicotine binding to rat brain (minus cerebellum) Nicotinic acetylcholine receptor alpha4-beta2 | B | 7.46 | pKi | 35 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 3237-3240 [PMID:15925512] |
| ChEMBL | Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2 | B | 7.46 | pKi | 35 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 3237-3240 [PMID:15925512] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells | B | 7.66 | pKi | 22 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells | B | 7.7 | pKi | 19.95 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method | B | 7.85 | pKi | 14.13 | nM | Ki | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method | B | 7.89 | pKi | 13 | nM | Ki | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 7.92 | pKi | 12 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs | B | 7.95 | pKi | 11.1 | nM | Ki | J Med Chem (2010) 53: 8187-8191 [PMID:20979364] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat frontal cortex membrane by scintillation counting method | B | 7.96 | pKi | 11 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR transfected in HEK293 cell membrane | B | 7.96 | pKi | 11 | nM | Ki | ACS Med Chem Lett (2015) 6: 472-475 [PMID:25941557] |
| ChEMBL | In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine | B | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4385-4388 [PMID:16039849] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex | B | 8 | pKi | 10 | nM | Ki | J Nat Prod (2013) 76: 727-731 [PMID:23461628] |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha4beta2 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta2 | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2003) 46: 921-924 [PMID:12620069] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | B | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem (2009) 17: 4367-4377 [PMID:19481945] |
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine | B | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1855-1859 [PMID:15050615] |
| ChEMBL | Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2 | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2005) 48: 1721-1724 [PMID:15771418] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2* nAChR in rat forebrain after 4 hrs by liquid scintillation counting analysis | B | 8.01 | pKi | 9.8 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| ChEMBL | Displacement of [3H]Epibatidine from alpha4beta2 nACHR in rat forebrain by liquid scintillation counting analysis | B | 8.01 | pKi | 9.8 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain nAChR alpha4beta2 | B | 8.01 | pKi | 9.8 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha4beta2* nAChR in rat forebrain by beta scintillation counting | B | 8.01 | pKi | 9.8 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]Epibatidine from alpha4beta2 nAChR in rat brain by PDSP assay | B | 8.01 | pKi | 9.8 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | In vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 | B | 8.1 | pKi | 8 | nM | Ki | J Med Chem (2002) 45: 3041-3047 [PMID:12086489] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 8.12 | pKi | 7.6 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 8.12 | pKi | 7.59 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]cytisine from alpha-4-beta-2 nAChR in rat brain membrane | B | 8.15 | pKi | 7 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 188-193 [PMID:18006307] |
| ChEMBL | Displacement of [3H]cytisine from alpha-4-beta-2 nAChR in rat cerebral cortex | B | 8.17 | pKi | 6.8 | nM | Ki | J Med Chem (2007) 50: 4993-5002 [PMID:17850058] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-2 nAChR in HEK293 cell line | B | 8.2 | pKi | 6.31 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-2 nAChR in HEK293 cell line | B | 8.21 | pKi | 6.2 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of 3H-cytisine from rat brain alpha4beta2 nAChR by radioligand binding assay | B | 8.25 | pKi | 5.6 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha4beta2 nAChR by beta scintillation counting | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nACHR | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nAChR by competition binding assay | B | 8.31 | pKi | 4.9 | nM | Ki | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Displacement of [3H]Epibatidine from rat alpha4beta2 nACHR by liquid scintillation counting analysis | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Displacement of [3H]epibatidine from rat nAChR alpha4beta2 | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR receptor | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 receptor expressed in HEK cells | B | 8.31 | pKi | 4.9 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Binding affinity to rat alpha4beta2 nAChR | B | 8.39 | pKi | 4.1 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [3H]-epibatidine from alpha4beta2 nAChR in rat cortex hippocampus | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 6481-6485 [PMID:24128660] |
| ChEMBL | Displacement of [3H]cystisine from nicotinic alpha-4-beta-2 receptor in rat brain | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2188-2193 [PMID:18262785] |
| ChEMBL | Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR in rat brain cortex membrane | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5610-5615 [PMID:16942873] |
| ChEMBL | Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition and measured after overnight incubation by liquid scintillation beta counter analysis | B | 8.4 | pKi | 4 | nM | Ki | J Med Chem (2020) 63: 15668-15692 [PMID:33325696] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes by liquid scintillation counting method | B | 8.4 | pKi | 4 | nM | Ki | J Med Chem (2015) 58: 6665-6677 [PMID:26225816] |
| ChEMBL | Displacement of [3H]epibatidine from alpha-4-beta-2 nAchR in rat brain cortex membrane | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 854-859 [PMID:19097783] |
| ChEMBL | Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation with [3H]-epibatine | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5613-5617 [PMID:27818109] |
| ChEMBL | Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR in rat cerebral cortex | B | 8.52 | pKi | 3 | nM | Ki | J Med Chem (2007) 50: 4993-5002 [PMID:17850058] |
| ChEMBL | Displacement of [3H]cytisine from alpha4beta2 nAChR in Sprague-Dawley rat brain homogenate after 75 mins by scintillation counting | B | 8.55 | pKi | 2.83 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 7610-7614 [PMID:23116890] |
| ChEMBL | Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2 | B | 8.64 | pKi | 2.3 | nM | Ki | J Med Chem (2000) 43: 4045-4050 [PMID:11063601] |
| ChEMBL | Displacement of [3H]epibatidine from immunoimmobilized alpha4beta2 nAChR in Sprague-Dawley rat striatal membranes by liquid scintillation counting | B | 8.68 | pKi | 2.1 | nM | Ki | Eur J Med Chem (2015) 101: 367-383 [PMID:26164842] |
| ChEMBL | Displacement of 3H-cytisine from Sprague-Dawley rat brain alpha4beta2 nAChR by liquid scintillation counting method | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting | B | 8.7 | pKi | 2 | nM | Ki | Eur J Med Chem (2010) 45: 5594-5601 [PMID:20932609] |
| ChEMBL | Inhibition of [3H]epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 5827-5830 [PMID:15501049] |
| ChEMBL | Inhibition of [3H](-)-nicotine binding to rat brain (minus cerebellum) Nicotinic acetylcholine receptor alpha4-beta2 | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 3237-3240 [PMID:15925512] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat cortex after 2 hrs by liquid scintillation counting | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2012) 55: 9181-9194 [PMID:22793665] |
| ChEMBL | Binding affinity for rat brain Nicotinic acetylcholine receptor alpha4-beta2 using [3H]S-(-)-nicotine | B | 8.74 | pKi | 1.8 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4308-4312 [PMID:16039854] |
| ChEMBL | Displacement of [3H]epibatidine from alpha-4-beta-2 nACHR in rat cerebral cortex | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2006) 49: 3244-3250 [PMID:16722642] |
| ChEMBL | Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2001) 44: 2229-2237 [PMID:11405659] |
| ChEMBL | Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2005) 48: 1221-1228 [PMID:15715488] |
| ChEMBL | Inhibition of alpha beta[3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cerebral cortex | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (2004) 47: 4588-4594 [PMID:15317468] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting | B | 8.82 | pKi | 1.5 | nM | Ki | J Nat Prod (2010) 73: 306-312 [PMID:20038125] |
| ChEMBL | Displacement of [3H]-epibatidine from alpha4beta2 nAChR in rat cerebral cortex homogenates after 4 hrs by liquid scintillation counting | B | 8.82 | pKi | 1.5 | nM | Ki | Bioorg Med Chem (2015) 23: 5693-5701 [PMID:26233800] |
| ChEMBL | Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 3067-3071 [PMID:12372503] |
| ChEMBL | Displacement of [3H]nicotine from alpha4beta2 nAChR in rat brain homogenate by liquid scintillation spectrophotometry | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem (2010) 18: 640-649 [PMID:20036131] |
| ChEMBL | Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates. | B | 8.89 | pKi | 1.3 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 733-735 [PMID:12639569] |
| ChEMBL | Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2 | B | 8.9 | pKi | 1.26 | nM | Ki | J Med Chem (2001) 44: 2229-2237 [PMID:11405659] |
| ChEMBL | Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain) | B | 8.98 | pKi | 1.05 | nM | Ki | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes | B | 9 | pKi | 1.01 | nM | Ki | J Med Chem (2001) 44: 2229-2237 [PMID:11405659] |
| ChEMBL | Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 97-100 [PMID:12467625] |
| ChEMBL | Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1889-1896 [PMID:15050621] |
| ChEMBL | Inhibition of [3H]MLA binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 3874-3880 [PMID:16005216] |
| ChEMBL | Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes | B | 9 | pKi | 1 | nM | Ki | J Med Chem (1998) 41: 2047-2055 [PMID:9622546] |
| ChEMBL | The compound was evaluated for percentage inhibition of binding of [3H]- nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in Rat Cerebral Cortical Membranes | B | 9 | pKi | 1 | nM | Ki | J Med Chem (1998) 41: 2047-2055 [PMID:9622546] |
| ChEMBL | In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2001) 44: 4704-4715 [PMID:11741488] |
| ChEMBL | Inhibition of [3H]nicotine binding to nicotinic acetylcholine receptor alpha4-beta2 of rat cortex | B | 9.02 | pKi | 0.95 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| ChEMBL | Inhibition of [3H]-nicotine binding to nicotinic acetylcholine receptor alpha4-beta2 in rat cortex | B | 9.02 | pKi | 0.95 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Displacement of [3H]cytisine from Nicotinic acetylcholine receptor alpha4-beta2 in rat forebrain | B | 9.03 | pKi | 0.94 | nM | Ki | J Med Chem (2002) 45: 4047-4054 [PMID:12190326] |
| ChEMBL | Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane | B | 9.03 | pKi | 0.94 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 1682-1685 [PMID:19232492] |
| ChEMBL | Displacement of [3H]cytisine from alpha-4-beta-2 in rat cerebral cortical membrane | B | 9.03 | pKi | 0.94 | nM | Ki | J Med Chem (2007) 50: 3627-3644 [PMID:17585748] |
| ChEMBL | Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane | B | 9.03 | pKi | 0.94 | nM | Ki | J Med Chem (2009) 52: 4126-4141 [PMID:19552432] |
| ChEMBL | Displacement of [3H]cytisine from alpha-4-beta-2 in rat cerebral cortical membrane | B | 9.03 | pKi | 0.93 | nM | Ki | J Med Chem (2007) 50: 3627-3644 [PMID:17585748] |
| ChEMBL | Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain | B | 9.08 | pKi | 0.84 | nM | Ki | J Med Chem (2002) 45: 1064-1072 [PMID:11855986] |
| ChEMBL | Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR. | B | 8.42 | pIC50 | 3.8 | nM | IC50 | J Med Chem (1999) 42: 2227-2234 [PMID:10377228] |
| ChEMBL | Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method | B | 8.78 | pIC50 | 1.65 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 4747-4751 [PMID:19576766] |
| ChEMBL | Agonist activity at rat brain alpha4beta2 nAChR | B | 4.72 | pEC50 | 19000 | nM | EC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Agonist activity at rat alpha4beta2 nAChR | B | 4.85 | pEC50 | 14000 | nM | EC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Agonist activity at rat alpha-4-beta-2 nACHR by rubidium efflux assay | F | 5 | pEC50 | 10000 | nM | EC50 | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| ChEMBL | Functional potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain) | B | 5.4 | pEC50 | 4000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Effective concentration against rat alpha4-beta2 nicotinic acetylcholine receptor | B | 6 | pEC50 | 1000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 3874-3880 [PMID:16005216] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR in rat thalamic synaptosomes assessed as increase in 86Rb efflux | B | 6.23 | pEC50 | 591 | nM | EC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at ratNicotinic acetylcholine receptor alpha4-beta2 | B | 6.23 | pEC50 | 590 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR in rat brain striatal slices assessed as release of [3H]dopamine release | B | 6.66 | pEC50 | 220 | nM | EC50 | J Nat Prod (2013) 76: 727-731 [PMID:23461628] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR in Sprague-Dawley rat striatal slices assessed as increase in [3H]-Dopamine release after 5 mins by microbeta counting | B | 6.68 | pEC50 | 210 | nM | EC50 | Eur J Med Chem (2015) 103: 429-437 [PMID:26383127] |
| ChEMBL | Agonist activity at alpha4beta2 nAChR in rat frontal cortex membrane | B | 7.11 | pEC50 | 77 | nM | EC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Partial agonist activity at Nicotinic acetylcholine alpha4beta2 receptor in rat striatum assessed as [3H]dopamine release by beta counting | F | 7.17 | pEC50 | 67.61 | nM | EC50 | J Med Chem (2011) 54: 7588-7601 [PMID:21942635] |
| ChEMBL | Partial agonist activity at Nicotinic acetylcholine alpha4beta2 receptor in rat striatum assessed as [3H]dopamine release by beta counting | F | 7.17 | pEC50 | 67 | nM | EC50 | J Med Chem (2011) 54: 7588-7601 [PMID:21942635] |
| ChEMBL | In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 | F | 8.14 | pEC50 | 7.3 | nM | EC50 | J Med Chem (2002) 45: 3041-3047 [PMID:12086489] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907591] [GtoPdb: 474, 465] [UniProtKB: P30926, P43681] | ||||||||
| ChEMBL | Binding affinity against nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells | B | 6.89 | pKi | 129 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 271-273 [PMID:14684341] |
| ChEMBL | Binding affinity to alpha2beta4 nAChR by PDSP assay | B | 7.15 | pKi | 70 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 7.4 | pKi | 40 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Binding affinity to alpha4beta4 nAChR by PDSP assay | B | 7.64 | pKi | 23 | nM | Ki | J Med Chem (2012) 55: 9998-10009 [PMID:23092294] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis | B | 7.64 | pKi | 23 | nM | Ki | ACS Med Chem Lett (2012) 3: 1054-1058 [PMID:23641311] |
| GtoPdb | In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine. | - | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency | F | 5.15 | pEC50 | 7100 | nM | EC50 | J Med Chem (1996) 39: 3235-3237 [PMID:8765504] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907595] [GtoPdb: 465, 474] [UniProtKB: P09483, P12392] | ||||||||
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells | B | 6.8 | pKi | 158.49 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells | B | 6.82 | pKi | 150 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 6.85 | pKi | 141.25 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]epibatidine from rat recombinant alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis | B | 6.85 | pKi | 140 | nM | Ki | J Med Chem (2013) 56: 940-951 [PMID:23256554] |
| ChEMBL | Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method | B | 7.14 | pKi | 72.44 | nM | Ki | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method | B | 7.14 | pKi | 72 | nM | Ki | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta4 nAChR transfected in HEK293 cell membrane | B | 7.29 | pKi | 51 | nM | Ki | ACS Med Chem Lett (2015) 6: 472-475 [PMID:25941557] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand | B | 7.34 | pKi | 46 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem (2009) 17: 4367-4377 [PMID:19481945] |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha4beta4 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 7.4 | pKi | 40 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs | B | 7.4 | pKi | 40 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 using 0.5 nM [3H]epibatidine | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4385-4388 [PMID:16039849] |
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1855-1859 [PMID:15050615] |
| ChEMBL | Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta4 | B | 7.4 | pKi | 40 | nM | Ki | J Med Chem (2003) 46: 921-924 [PMID:12620069] |
| ChEMBL | Displacement of [3H]epibatidine from recombinant rat alpha-4-beta-4 nAChr in HEK293 cell line | B | 7.48 | pKi | 33 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]epibatidine from recombinant rat alpha-4-beta-4 nAChr in HEK293 cell line | B | 7.5 | pKi | 31.62 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]Epibatidine from rat alpha4beta4 nACHR by liquid scintillation counting analysis | B | 7.64 | pKi | 23 | nM | Ki | J Med Chem (2013) 56: 5495-5504 [PMID:23734673] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta4 nAChR receptor | B | 7.64 | pKi | 23 | nM | Ki | J Med Chem (2011) 54: 7280-7288 [PMID:21905669] |
| ChEMBL | Displacement of [3H] epibatidine from rat alpha4beta4 nAChR by beta scintillation counting | B | 7.64 | pKi | 23 | nM | Ki | J Med Chem (2012) 55: 717-724 [PMID:22171543] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta4 nACHR | B | 7.64 | pKi | 23 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| ChEMBL | Displacement of [3H]epibatidine from rat nAChR alpha4beta4 | B | 7.64 | pKi | 23 | nM | Ki | J Med Chem (2010) 53: 6973-6985 [PMID:20822184] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha4beta4 nAChR by competition binding assay | B | 7.64 | pKi | 23 | nM | Ki | ACS Med Chem Lett (2014) 5: 1196-1201 [PMID:25408831] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta2 nACHR | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| nicotinic acetylcholine receptor α2 subunit/Neuronal acetylcholine receptor protein alpha-2 subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2584] [GtoPdb: 463] [UniProtKB: P12389] | ||||||||
| ChEMBL | Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | B | 7.92 | pKi | 12 | nM | Ki | Bioorg Med Chem (2009) 17: 4367-4377 [PMID:19481945] |
| nicotinic acetylcholine receptor α4 subunit in Human [GtoPdb: 465] [UniProtKB: P43681] | ||||||||
| GtoPdb | In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine. | - | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor protein alpha-4 subunit in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4457] [GtoPdb: 465] [UniProtKB: O70174] | ||||||||
| ChEMBL | Inhibition of [3H]nicotine binding to alpha4 nicotinic acetylcholine receptor in Mus musculus (mouse) M10 cells co-expressing beta2 nicotinic acetylcholine receptor subunits | B | 8.15 | pIC50 | 7 | nM | IC50 | J Agric Food Chem (2000) 48: 6016-6024 [PMID:11312774] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544] | ||||||||
| ChEMBL | Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor | B | 4.6 | pKi | 25118.86 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor | B | 4.62 | pKi | 24000 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3 | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3 | B | 5 | pKi | 10000 | nM | Ki | J Med Chem (2007) 50: 4616-4629 [PMID:17722904] |
| ChEMBL | Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha7 of IMR32 cells | B | 5.2 | pKi | 6300 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Binding affinity to alpha7 nAChR (unknown origin) | B | 5.2 | pKi | 6290 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrometric analysis | B | 5.42 | pKi | 3800 | nM | Ki | Bioorg Med Chem (2013) 21: 2687-2694 [PMID:23561269] |
| ChEMBL | Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells | B | 5.52 | pKi | 3000 | nM | Ki | J Med Chem (2012) 55: 9793-9809 [PMID:23126648] |
| ChEMBL | Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis | B | 5.52 | pKi | 3000 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3927-3934 [PMID:23692872] |
| ChEMBL | Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting | B | 5.52 | pKi | 3000 | nM | Ki | J Med Chem (2012) 55: 9181-9194 [PMID:22793665] |
| ChEMBL | Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells | B | 5.68 | pKi | 2110 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 4749-4752 [PMID:20663668] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in K28 cell membrane | B | 5.7 | pKi | 2000 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Bindind affinity value obtained by measuring the displacement of radioligand [125I]alpha-bungarotoxin from K-28 cells stably express human Nicotinic acetylcholine receptor alpha7 | B | 5.79 | pKi | 1610 | nM | Ki | J Med Chem (1997) 40: 385-390 [PMID:9022806] |
| ChEMBL | Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells | B | 5.99 | pKi | 1023.29 | nM | Ki | J Med Chem (2010) 53: 7192-7201 [PMID:20828128] |
| ChEMBL | Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting | B | 6 | pKi | 1000 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1448-1454 [PMID:22243960] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cells | B | 6 | pKi | 1000 | nM | Ki | J Med Chem (2009) 52: 2372-2383 [PMID:19331415] |
| ChEMBL | Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting | B | 6 | pKi | 1000 | nM | Ki | Bioorg Med Chem (2011) 19: 6107-6119 [PMID:21920761] |
| ChEMBL | Binding affinity to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin | B | 6.2 | pKi | 630 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha-7 subtype using [3H]S-(-)-nicotine as radioligand | B | 6.21 | pKi | 620 | nM | Ki | J Med Chem (1999) 42: 3066-3074 [PMID:10447950] |
| ChEMBL | Inhibition of [3H]alpha-BGT binding to alpha7 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Agric Food Chem (2000) 48: 6016-6024 [PMID:11312774] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrometric analysis | B | 5.12 | pIC50 | 7600 | nM | IC50 | Bioorg Med Chem (2013) 21: 2687-2694 [PMID:23561269] |
| ChEMBL | Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiological assay | F | 4.04 | pEC50 | 91000 | nM | EC50 | J Med Chem (2009) 52: 4126-4141 [PMID:19552432] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7 | B | 4.08 | pEC50 | 83000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Effective concentration that causes inhibition of alpha-7 nAChR, was determined. Values are expressed as EC50 +/- SEM. | F | 4.42 | pEC50 | 38000 | nM | EC50 | Bioorg Med Chem Lett (2001) 11: 319-321 [PMID:11212100] |
| ChEMBL | Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ levels in presence of PNU120596 by calcium flux assay | B | 5.33 | pEC50 | 4710 | nM | EC50 | J Med Chem (2019) 62: 1887-1901 [PMID:30681854] |
| ChEMBL | Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay | F | 5.8 | pEC50 | 1584.89 | nM | EC50 | Bioorg Med Chem Lett (2009) 19: 1287-1291 [PMID:19208472] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3365] [GtoPdb: 468] [UniProtKB: P49582] | ||||||||
| ChEMBL | In vitro Binding affinity towards alpha-7 nAChR was determined | B | 6.32 | pKi | 480 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 319-321 [PMID:11212100] |
| ChEMBL | Displacement of [125I]-alpha-Btx from alpha7 nAChR in mouse hippocampal membranes | B | 6.61 | pKi | 244 | nM | Ki | J Med Chem (2012) 55: 9929-9945 [PMID:23025891] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4980] [GtoPdb: 468] [UniProtKB: Q05941] | ||||||||
| ChEMBL | Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells | B | 4.8 | pKi | 16000 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells | B | 4.8 | pKi | 15848.93 | nM | Ki | J Med Chem (2008) 51: 7380-7395 [PMID:18989912] |
| ChEMBL | Displacement of [3H]MLA from rat alpha7 nAChR transfected in tsA201 cell membrane | B | 4.82 | pKi | 15000 | nM | Ki | ACS Med Chem Lett (2015) 6: 472-475 [PMID:25941557] |
| ChEMBL | Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells | B | 5.2 | pKi | 6290 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| ChEMBL | Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain) | B | 5.4 | pKi | 4000 | nM | Ki | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]alpha-bungarotoxin in rat brain | B | 5.4 | pKi | 4000 | nM | Ki | J Med Chem (2001) 44: 4704-4715 [PMID:11741488] |
| ChEMBL | Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus | B | 5.76 | pKi | 1748 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2073-2077 [PMID:15808471] |
| ChEMBL | Displacement of [3H]alpha-bungaro-toxine from nicotinic alpha-7 receptor in rat brain | B | 5.82 | pKi | 1500 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2188-2193 [PMID:18262785] |
| ChEMBL | Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain | B | 5.85 | pKi | 1400 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1633-1638 [PMID:22281189] |
| ChEMBL | Affinity for alpha-7 neuronal nicotinic acetylcholine receptor subtype determined by inhibition of [3H]-MLA binding to rat brain membranes | B | 6.11 | pKi | 770 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1245-1248 [PMID:11354387] |
| ChEMBL | Inhibition of [3H]-MLA binding to alpha-7 nicotinic acetylcholine receptor of rat brain membrane | B | 6.11 | pKi | 770 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 3874-3880 [PMID:16005216] |
| ChEMBL | Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex | B | 6.12 | pKi | 750 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 4283-4286 [PMID:16765047] |
| ChEMBL | Displacement of [125I]-alpha-BTX from rat alpha7 nAChR after 4 hrs by liquid scintillation counting analysis | B | 6.21 | pKi | 610 | nM | Ki | J Med Chem (2013) 56: 7574-7589 [PMID:24050653] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK293 cells after 4 hrs | B | 6.28 | pKi | 520 | nM | Ki | J Med Chem (2013) 56: 8404-8421 [PMID:24047231] |
| ChEMBL | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 °C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 °C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 μM nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for α2β2, 0.08 nM for α2β4, 0.03 nM for α3β2, 0.3 nM for α3β4, 0.04 nM for α4β2, 0.09 nM for α4β4, 1.8 nM for α7 and 0.05 for rat forebrain. | B | 6.29 | pKi | 517 | nM | Ki | US-9303017-B2. 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof (2016) |
| ChEMBL | Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis | B | 6.29 | pKi | 517 | nM | Ki | J Med Chem (2013) 56: 3000-3011 [PMID:23540678] |
| ChEMBL | Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 | B | 6.32 | pKi | 480 | nM | Ki | J Med Chem (2000) 43: 4045-4050 [PMID:11063601] |
| ChEMBL | Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membranes by gamma counting | B | 6.33 | pKi | 469 | nM | Ki | Eur J Med Chem (2010) 45: 5594-5601 [PMID:20932609] |
| ChEMBL | Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes | B | 6.34 | pKi | 460 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 5827-5830 [PMID:15501049] |
| ChEMBL | Displacement of [3H]alpha-bungarotoxin from alpha-7 nAChR in rat cerebral cortex | B | 6.35 | pKi | 450 | nM | Ki | J Med Chem (2007) 50: 4993-5002 [PMID:17850058] |
| ChEMBL | Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat brain membranes | B | 6.35 | pKi | 450 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 3067-3071 [PMID:12372503] |
| ChEMBL | Binding affinity to rat alpha7 nAChR | B | 6.4 | pKi | 400 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane | B | 6.47 | pKi | 340 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 97-100 [PMID:12467625] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat hippocampus membrane homogenates by gamma counting | B | 6.6 | pKi | 250 | nM | Ki | Eur J Med Chem (2015) 101: 367-383 [PMID:26164842] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membranes preincubated for 5 mins followed by [125I]alpha-bungarotoxin addition and measured after overnight incubation by liquid scintillation beta counter analysis | B | 6.63 | pKi | 234 | nM | Ki | J Med Chem (2020) 63: 15668-15692 [PMID:33325696] |
| ChEMBL | Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes | B | 6.63 | pKi | 234 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5610-5615 [PMID:16942873] |
| ChEMBL | Displacement of [125I]alpha-Bungarotoxin from alpha-7 nAchR in rat brain cortex membrane | B | 6.63 | pKi | 234 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 854-859 [PMID:19097783] |
| ChEMBL | Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes | B | 6.63 | pKi | 234 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 6481-6485 [PMID:24128660] |
| ChEMBL | Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method | B | 6.63 | pKi | 234 | nM | Ki | J Med Chem (2015) 58: 6665-6677 [PMID:26225816] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus | B | 6.64 | pKi | 230 | nM | Ki | J Nat Prod (2013) 76: 727-731 [PMID:23461628] |
| ChEMBL | Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane | B | 6.75 | pKi | 176 | nM | Ki | J Med Chem (2009) 52: 4126-4141 [PMID:19552432] |
| ChEMBL | Binding affinity to subtype Nicotinic acetylcholine receptor alpha-7 using [125I]-alpha-BTX as radioligand in rat brain | B | 6.89 | pKi | 130 | nM | Ki | J Med Chem (2002) 45: 1064-1072 [PMID:11855986] |
| ChEMBL | Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices. | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem Lett (1999) 9: 2795-2800 [PMID:10522693] |
| ChEMBL | Functional potency for Nicotinic acetylcholine receptor alpha-7 (rat brain) | B | 4.27 | pEC50 | 54000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Agonist activity at rat alpha7 nAChR | B | 4.33 | pEC50 | 47000 | nM | EC50 | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay | F | 4.64 | pEC50 | 23000 | nM | EC50 | J Med Chem (2012) 55: 9793-9809 [PMID:23126648] |
| ChEMBL | Effective concentration against rat alpha-7 nicotinic acetylcholine receptor | B | 4.89 | pEC50 | 13000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 3874-3880 [PMID:16005216] |
| ChEMBL | Agonist activity at rat alpha-7 nAChR expressed in GH4C1-F7 cells assessed as effect on calcium influx by FLIPR | F | 5.82 | pEC50 | 1500 | nM | EC50 | Bioorg Med Chem (2008) 16: 2313-2328 [PMID:18078760] |
| ChEMBL | Agonist activity at rat alpha7 nAchR expressed in rat GH4C1 cells assessed as stimulation of calcium flux by FLIPR | F | 5.97 | pEC50 | 1071.52 | nM | EC50 | J Med Chem (2012) 55: 10277-10281 [PMID:23083093] |
| nicotinic acetylcholine receptor α9 subunit/Neuronal acetylcholine receptor protein alpha-9 subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2585] [GtoPdb: 469] [UniProtKB: P43144] | ||||||||
| ChEMBL | The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain. | B | 8.3 | pKd | 5 | nM | Kd | J Med Chem (1998) 41: 4199-4206 [PMID:9784094] |
| ChEMBL | Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes | B | 8.62 | pIC50 | 2.4 | nM | IC50 | J Med Chem (1999) 42: 1684-1686 [PMID:10346920] |
| nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptors; alpha-3/beta-4, alpha-5, beta-2 in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2221346] [GtoPdb: 472, 466, 474, 464] [UniProtKB: P17787, P30532, P30926, P32297] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | Agonist activity at alpha3beta4alpha5beta2 nACHR in human SH-SY5Y cells by 86Rb+ efflux assay | F | 4.52 | pEC50 | 30000 | nM | EC50 | J Med Chem (2012) 55: 812-823 [PMID:22148173] |
| nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor subunit alpha-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3068] [GtoPdb: 464] [UniProtKB: P32297] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined | B | 6.66 | pKi | 220 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 319-321 [PMID:11212100] |
| ChEMBL | Inhibition of [3H]nicotine binding to alpha3 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells co-expressing beta2beta4alpha5 Nicotinic acetylcholine receptor subunits | B | 7.35 | pIC50 | 45 | nM | IC50 | J Agric Food Chem (2000) 48: 6016-6024 [PMID:11312774] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit in Human [GtoPdb: 474, 464] [UniProtKB: P30926, P32297] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor subunit alpha-3/beta-4 in Mouse (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885609] [GtoPdb: 474, 464] [UniProtKB: Q8R493, Q8R4G9] | ||||||||
| ChEMBL | Displacement of [125I]-epibatidine from alpha3beta4 nAChR in mouse cortical membranes | B | 6.78 | pKi | 167 | nM | Ki | J Med Chem (2012) 55: 9929-9945 [PMID:23025891] |
| Neuronal acetylcholine receptor subunit alpha-4 in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5569] [UniProtKB: P09482] | ||||||||
| ChEMBL | Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand binding assay | B | 8.72 | pKi | 1.9 | nM | Ki | J Agric Food Chem (2011) 59: 2825-2828 [PMID:21341671] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit in Human [GtoPdb: 465, 472] [UniProtKB: P43681, P17787] | ||||||||
| GtoPdb | In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine. | - | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor subunit alpha-4/beta-2 in Mouse (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3883314] [GtoPdb: 465, 472] [UniProtKB: O70174, Q9ERK7] | ||||||||
| ChEMBL | Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T cells by FMP assay | B | 6.14 | pEC50 | 724.44 | nM | EC50 | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| ChEMBL | Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T cells by FMP assay | B | 6.14 | pEC50 | 720 | nM | EC50 | Eur J Med Chem (2015) 102: 352-362 [PMID:26298493] |
| nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor α6 subunit/Neuronal acetylcholine receptor subunit alpha-6/beta-3 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3883329] [GtoPdb: 473, 467] [UniProtKB: P12391, P43143] | ||||||||
| ChEMBL | Displacement of [3H]epibatidine from immunoimmobilized alpha6beta2 nAChR in Sprague-Dawley rat striatal membranes by liquid scintillation counting | B | 8.48 | pKi | 3.3 | nM | Ki | Eur J Med Chem (2015) 101: 367-383 [PMID:26164842] |
| nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor subunit beta-4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2658] [GtoPdb: 474] [UniProtKB: P12392] | ||||||||
| ChEMBL | Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland | B | 7.14 | pKi | 73 | nM | Ki | J Med Chem (2002) 45: 1064-1072 [PMID:11855986] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α6 subunit in Human [GtoPdb: 465, 468, 466, 473, 474, 464, 463, 472, 467] [UniProtKB: P43681, P36544, P30532, Q05901, P30926, P32297, Q15822, P17787, Q15825] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| GtoPdb | In vitro affinity for recombinant human α4β2 receptors in membranes from transfected CHO-K1 cells, determined by displacement of [3H]-(−)-cytisine. | - | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α6 subunit/Neuronal nicotinic acetylcholine receptor in Mouse (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL3350222] [GtoPdb: 465, 468, 466, 473, 474, 464, 463, 472, 467] [UniProtKB: O70174, P49582, Q2MKA5, Q8BMN3, Q8R493, Q8R4G9, Q91X60, Q9ERK7, Q9R0W9] | ||||||||
| ChEMBL | Binding affinity against Nicotinic acetylcholine receptor using [3H](-)-nicotine radioligand | B | 8.89 | pKi | 1.3 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 3005-3007 [PMID:12270194] |
| ChEMBL | Binding affinity against Nicotinic acetylcholine receptor using [3H](-)-nicotine radioligand | B | 8.92 | pKi | 1.2 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 3005-3007 [PMID:12270194] |
| ChEMBL | Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes. | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (1996) 39: 3235-3237 [PMID:8765504] |
| nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor β4 subunit/Nicotinic acetylcholine receptor alpha2/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038459] [GtoPdb: 462, 474] [UniProtKB: P02708, P30926] | ||||||||
| ChEMBL | The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency | F | 5 | pEC50 | 10000 | nM | EC50 | J Med Chem (1996) 39: 3235-3237 [PMID:8765504] |
| nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β3 subunit/Nicotinic acetylcholine receptor alpha3/betaX in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2111384] [GtoPdb: 471, 472, 474, 464, 473] [UniProtKB: P11230, P17787, P30926, P32297, Q05901] | ||||||||
| GtoPdb | - | - | 5.76 | pKi | 1744 | nM | Ki | J Med Chem (2020) 63: 2833-2853 [PMID:32026697] |
| ChEMBL | Stimulation of cation efflux in human nAChR subtype alpha3-betaX expressing IMR-32 cells | B | 4.68 | pEC50 | 21000 | nM | EC50 | Bioorg Med Chem Lett (1998) 8: 249-254 [PMID:9871663] |
| nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor β2 subunit/Nicotinic acetylcholine receptor alpha-4/beta-2 in Mouse (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3301382] [GtoPdb: 474, 472] [UniProtKB: Q8R493, Q9ERK7] | ||||||||
| ChEMBL | Displacement of [125I]-epibatidine from alpha4beta2 nAChR in mouse cortical membranes | B | 8.46 | pKi | 3.5 | nM | Ki | J Med Chem (2012) 55: 9929-9945 [PMID:23025891] |
| Nicotinic acetylcholine receptor alpha 5 subunit in Musca domestica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366408] [UniProtKB: A9XFY4] | ||||||||
| ChEMBL | Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting | B | 5.61 | pKi | 2480 | nM | Ki | J Pestic Sci (1992) 17: 231-236 |
| ChEMBL | Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillation counting method | B | 4.92 | pIC50 | 11900 | nM | IC50 | Biosci Biotechnol Biochem (2003) 67: 980-988 [PMID:12834274] |
| 5-HT3E/5-HT3B/5-HT3A/5-HT3D/5-HT3C/Serotonin 3 (5-HT3) receptor in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094132] [GtoPdb: 377, 374, 373, 376, 375] [UniProtKB: A5X5Y0, O95264, P46098, Q70Z44, Q8WXA8] | ||||||||
| ChEMBL | In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined | B | 4.15 | pKi | 71000 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 319-321 [PMID:11212100] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (1992) 35: 4683-4689 [PMID:1469697] |
| Soluble acetylcholine receptor in Aplysia californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944497] [UniProtKB: Q8WSF8] | ||||||||
| ChEMBL | Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting | B | 5.6 | pKi | 2511.89 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 1448-1454 [PMID:22243960] |
| ChEMBL | Displacement of [3H]epibatidine from Aplysia californica AChBP | B | 6.22 | pKi | 598 | nM | Ki | J Med Chem (2012) 55: 8028-8037 [PMID:22928944] |
| ChEMBL | Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay | B | 7.52 | pKi | 30 | nM | Ki | J Agric Food Chem (2011) 59: 2825-2828 [PMID:21341671] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells | F | 4.19 | pKi | 64300 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 800-805 [PMID:9808712] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells | F | 4.3 | pKi | 50500 | nM | Ki | J Pharmacol Exp Ther (1998) 287: 800-805 [PMID:9808712] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
| ChEMBL | Activation of TRPA1 channel | B | 4.77 | pEC50 | 17000 | nM | EC50 | J Med Chem (2010) 53: 5085-5107 [PMID:20356305] |
| GtoPdb | Patch clamp | - | 4.8 | pEC50 | 17000 | nM | EC50 | Nat Neurosci (2009) 12: 1293-9 [PMID:19749751] |
| ChEMBL | Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay | B | 5.7 | pEC50 | 2000 | nM | EC50 | Eur J Med Chem (2019) 170: 141-156 [PMID:30878828] |
| TRPA1/Transient receptor potential cation channel subfamily A member 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075310] [GtoPdb: 485] [UniProtKB: Q8BLA8] | ||||||||
| ChEMBL | Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by patch clamp electrophysiology method | B | 5 | pEC50 | 10000 | nM | EC50 | Eur J Med Chem (2019) 170: 141-156 [PMID:30878828] |
| Kv4.3 in Rat [GtoPdb: 554] [UniProtKB: Q62897] | ||||||||
| GtoPdb | - | - | 7.4 | pIC50 | - | - | - | Circulation (2000) 102: 1165-71 [PMID:10973847] |
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]
