cytisine [Ligand Id: 5347] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL497939 (6039 Sopharma, Baptitoxine, Citisiniclina, Cytisine, Cytisinicline, Cytiton, NSC-407282, Sophorine, Tabex, Ulexine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Acetylcholine receptor in Torpedo californica (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2096975] [UniProtKB: P02710, P02712, P02714, P02718] | ||||||||
| ChEMBL | Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax | B | 6.6 | pKi | 250 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| 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 | 6.6 | pKi | 250 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors | F | 7.96 | pEC50 | 11 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1221-1224 [PMID:15686946] |
| Acetylcholine receptor subunit alpha in Torpedo californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3097] [UniProtKB: P02710] | ||||||||
| ChEMBL | Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs membranes by scintillation counting method | B | 5.45 | pIC50 | 3530 | nM | IC50 | J Pestic Sci (1995) 20: 49-56 |
| Acetylcholine receptor subunit delta in Torpedo californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3916] [UniProtKB: P02718] | ||||||||
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle) | B | 4 | pEC50 | 100000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| 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 | Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand | B | 8.6 | pKi | 2.5 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic) | B | 5 | pEC50 | 10000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| 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 | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells | B | 8.97 | pKi | 1.07 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| 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 | Displacement of [3H]epibatidine from rat alpha-2-beta-4 nACHR expressed in human HEK293 cells | B | 8.27 | pKi | 5.41 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| 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] | ||||||||
| ChEMBL | Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2 expressed in xenopus oocytes | B | 4.17 | pEC50 | 67000 | nM | EC50 | J Med Chem (2005) 48: 4705-4745 [PMID:16033252] |
| 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 | Displacement of [3H]epibatidine from rat alpha-3-beta-2 nACHR expressed in human HEK293 cells | B | 7.43 | pKi | 37.2 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 7.43 | pKi | 37 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| 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 in IMR32 cells | B | 5.81 | pKi | 1560 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2316-2319 [PMID:18356044] |
| ChEMBL | Inhibition of [3H]epibatidine binding to nicotinic acetylcholine receptor alpha3-beta4 of human IMR32 cells | B | 6.08 | pKi | 840 | 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 | 6.08 | pKi | 840 | 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 | 6.08 | pKi | 840 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Displacement of [3H]epibatidine from human recombinant alpha-3-beta-4 nAChR in HEK293 cells by SPA assay | B | 6.28 | pKi | 525 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5493-5497 [PMID:16934977] |
| ChEMBL | Partial agonist activity at alpha3beta4 nAChR (unknown origin) | B | 6.32 | pKi | 480 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK cells | B | 6.55 | pKi | 280 | nM | Ki | J Nat Prod (2013) 76: 727-731 [PMID:23461628] |
| ChEMBL | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds mentioned above were tested for their affinity at different nAChR subtypes, specifically the α4β2, the α3β4 and α7. The protocol for these tests is set out below, and the results are provided at Table 1 below. Binding to Heterologously Expressed_α4β2 and α3β4 Human SubtypesHEK 293 cells were grown in Dulbecco's modified Eagle medium supplemented with 10% fetal bovine serum, 1% L-Glutamine, 100 units/ml penicillin G, and 100 μg/streptomycin in a humidified atmosphere containing 10% CO2. The cDNAs encoding α3 and β4 or α4 and β2 (were transfected into the HEK 293 cells at 30% confluency). The cell transfections were carried out in 100 mm Petri dishes using 30 μL of JetPEI (Polypus, France) (1 mg/ml, pH 7.2) and 3 μg of each cDNA. After 24 h transfection, the cells were collected, washed with PBS by centrifugation, and used for binding analysis.[3H]-epibatidine saturation binding experiments to HEK transfected α3β4 or α4β2 receptors were performed by means of overnight incubation at 4° C. at concentrations ranging from 0.005 to 1 nM in a buffer containing 50 mM Tris-HCl, pH 7, 150 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2.5 mM CaCl2and 2 mg/ml BSA, in the presence (aspecific binding) or absence (total binding) of 100 nM cold epibatidine. Specific ligand binding was defined as total binding minus the binding in the presence of 100 nM cold epibatidine. | B | 6.99 | pKi | 103 | nM | Ki | US-11667638-B2. 4-substitued cytisine analogues (2023) |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic) | B | 4.59 | pEC50 | 26000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| 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 alpha3beta4 nACHR expressed in human HEK293 cells | B | 6.66 | pKi | 217 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand | B | 6.68 | pKi | 210 | 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 | 6.69 | pKi | 203 | nM | Ki | J Med Chem (2010) 53: 8187-8191 [PMID:20979364] |
| ChEMBL | Effective concentration in KXalpha-3-beta-4R2 cells expressing rat nicotinic acetylcholine receptor alpha3-beta4 subunits | F | 7.6 | pEC50 | 25 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1221-1224 [PMID:15686946] |
| 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 | Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay | B | 8.59 | pKi | 2.59 | nM | Ki | Bioorg Med Chem Lett (2006) 16: 5493-5497 [PMID:16934977] |
| ChEMBL | Partial agonist activity at alpha4beta2 nAChR (unknown origin) | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds mentioned above were tested for their affinity at different nAChR subtypes, specifically the α4β2, the α3β4 and α7. The protocol for these tests is set out below, and the results are provided at Table 1 below. Binding to Heterologously Expressed_α4β2 and α3β4 Human SubtypesHEK 293 cells were grown in Dulbecco's modified Eagle medium supplemented with 10% fetal bovine serum, 1% L-Glutamine, 100 units/ml penicillin G, and 100 μg/streptomycin in a humidified atmosphere containing 10% CO2. The cDNAs encoding α3 and β4 or α4 and β2 (were transfected into the HEK 293 cells at 30% confluency). The cell transfections were carried out in 100 mm Petri dishes using 30 μL of JetPEI (Polypus, France) (1 mg/ml, pH 7.2) and 3 μg of each cDNA. After 24 h transfection, the cells were collected, washed with PBS by centrifugation, and used for binding analysis.[3H]-epibatidine saturation binding experiments to HEK transfected α3β4 or α4β2 receptors were performed by means of overnight incubation at 4° C. at concentrations ranging from 0.005 to 1 nM in a buffer containing 50 mM Tris-HCl, pH 7, 150 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2.5 mM CaCl2and 2 mg/ml BSA, in the presence (aspecific binding) or absence (total binding) of 100 nM cold epibatidine. Specific ligand binding was defined as total binding minus the binding in the presence of 100 nM cold epibatidine. | B | 8.9 | pKi | 1.27 | nM | Ki | US-11667638-B2. 4-substitued cytisine analogues (2023) |
| ChEMBL | Displacement of [3H]cytisine from human alpha4beta2 nAChR by Cheng-Prusoff equation analysis | B | 9.55 | pKi | 0.28 | 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 | 9.64 | pKi | 0.23 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine | B | 9.64 | pKi | 0.23 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | Inactivation of alpha4beta2* nAChR low affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method | B | 4.55 | pIC50 | 28000 | nM | IC50 | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Inactivation of alpha4beta2* nAChR high affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method | B | 7.3 | pIC50 | 50 | nM | IC50 | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2 | B | 4.42 | pEC50 | 38000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Activation of alpha4beta2* nAChR high affinity site (unknown origin) expressed in xenopus oocytes by electrophysiology method | B | 5.7 | pEC50 | 2000 | nM | EC50 | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Change in membrane potential in K-177 cells expressing acetylcholine central neuronal receptor alpha4-beta2 subunits | F | 9.38 | pEC50 | 0.42 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1221-1224 [PMID:15686946] |
| 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 | in vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 | B | 8.38 | pKi | 4.2 | nM | Ki | J Med Chem (2002) 45: 3041-3047 [PMID:12086489] |
| ChEMBL | In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain | B | 8.56 | pKi | 2.78 | nM | Ki | J Med Chem (2001) 44: 4704-4715 [PMID:11741488] |
| ChEMBL | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex | B | 8.68 | pKi | 2.1 | nM | Ki | J Nat Prod (2013) 76: 727-731 [PMID:23461628] |
| ChEMBL | Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR | B | 8.72 | pKi | 1.92 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs | B | 8.82 | pKi | 1.53 | nM | Ki | J Med Chem (2010) 53: 8187-8191 [PMID:20979364] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells | B | 8.82 | pKi | 1.51 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| ChEMBL | Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand | B | 8.82 | pKi | 1.5 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]cytisine from rat alpha4beta2 nAChR in rat brain cell membrane | B | 8.97 | pKi | 1.06 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 6667-6670 [PMID:20880707] |
| ChEMBL | Binding affinity to rat alpha4beta2 nAChR | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2012) 55: 9929-9945 [PMID:23025891] |
| ChEMBL | Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates | B | 9.32 | pKi | 0.48 | nM | Ki | J Med Chem (2009) 52: 4345-4357 [PMID:19548687] |
| ChEMBL | Displacement of [3H]nicotine from alpha4beta2 nAChR in Sprague-Dawley rat brain membrane | B | 9.37 | pKi | 0.43 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2316-2319 [PMID:18356044] |
| ChEMBL | Displacement of [3H]nicotine from rat alpha4beta2 nAChR by liquid scintillation counting | B | 9.4 | pKi | 0.4 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane | B | 9.4 | pKi | 0.4 | nM | Ki | Bioorg Med Chem (2010) 18: 4498-4508 [PMID:20478710] |
| ChEMBL | Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates | B | 9.47 | pKi | 0.34 | nM | Ki | J Med Chem (2009) 52: 4345-4357 [PMID:19548687] |
| ChEMBL | Inhibition of [3H]-nicotine binding to nicotinic acetylcholine receptor alpha4-beta2 in rat cortex | B | 9.77 | pKi | 0.17 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Inhibition of [3H]nicotine binding to nicotinic acetylcholine receptor alpha4-beta2 of rat cortex | B | 9.77 | pKi | 0.17 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| ChEMBL | In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain | B | 9.91 | pKi | 0.12 | nM | Ki | J Med Chem (2003) 46: 2031-2048 [PMID:12747776] |
| ChEMBL | Displacement of [3H]epibatidine from Sprague-Dawley rat brain alpha4beta2 nAChR after 90 mins by liquid scintillation counting analysis | B | 9.91 | pKi | 0.12 | nM | Ki | Bioorg Med Chem (2013) 21: 7309-7329 [PMID:24145137] |
| ChEMBL | Displacement of [3H]-epibatidine from rat forebrain alpha4beta2 nAChR | B | 9.91 | pKi | 0.12 | nM | Ki | Bioorg Med Chem (2013) 21: 7283-7308 [PMID:24156938] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR | B | 7.16 | pIC50 | 69.18 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3683-3687 [PMID:20493692] |
| ChEMBL | In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 | F | 8.06 | pEC50 | 8.8 | nM | EC50 | J Med Chem (2002) 45: 3041-3047 [PMID:12086489] |
| 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 | Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand | B | 8.66 | pKi | 2.2 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 1845-1848 [PMID:15050613] |
| ChEMBL | Displacement of [3H]epibatidine from rat alpha-4-beta-4 nACHR expressed in human HEK293 cells | B | 8.68 | pKi | 2.1 | nM | Ki | J Med Chem (2006) 49: 2673-2676 [PMID:16640326] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor subunit alpha-7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544] | ||||||||
| ChEMBL | Partial agonist activity at alpha7 nAChR (unknown origin) | B | 5.23 | pKi | 5890 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha7 of IMR32 cells | B | 5.38 | pKi | 4200 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2974-2979 [PMID:15908213] |
| ChEMBL | Binding affinity to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin | B | 5.85 | pKi | 1420 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4889-4897 [PMID:16171993] |
| ChEMBL | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds mentioned above were tested for their affinity at different nAChR subtypes, specifically the α4β2, the α3β4 and α7. The protocol for these tests is set out below, and the results are provided at Table 1 below. Binding to Heterologously Expressed_α4β2 and α3β4 Human SubtypesHEK 293 cells were grown in Dulbecco's modified Eagle medium supplemented with 10% fetal bovine serum, 1% L-Glutamine, 100 units/ml penicillin G, and 100 μg/streptomycin in a humidified atmosphere containing 10% CO2. The cDNAs encoding α3 and β4 or α4 and β2 (were transfected into the HEK 293 cells at 30% confluency). The cell transfections were carried out in 100 mm Petri dishes using 30 μL of JetPEI (Polypus, France) (1 mg/ml, pH 7.2) and 3 μg of each cDNA. After 24 h transfection, the cells were collected, washed with PBS by centrifugation, and used for binding analysis.[3H]-epibatidine saturation binding experiments to HEK transfected α3β4 or α4β2 receptors were performed by means of overnight incubation at 4° C. at concentrations ranging from 0.005 to 1 nM in a buffer containing 50 mM Tris-HCl, pH 7, 150 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2.5 mM CaCl2and 2 mg/ml BSA, in the presence (aspecific binding) or absence (total binding) of 100 nM cold epibatidine. Specific ligand binding was defined as total binding minus the binding in the presence of 100 nM cold epibatidine. | B | 6.16 | pKi | 691 | nM | Ki | US-11667638-B2. 4-substitued cytisine analogues (2023) |
| ChEMBL | Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7 | B | 4.15 | pEC50 | 71000 | nM | EC50 | J Med Chem (1997) 40: 4169-4194 [PMID:9435889] |
| ChEMBL | Effective concentration against Nicotinic acetylcholine receptor alpha 7 expressed in xenopus oocytes | B | 4.15 | pEC50 | 71000 | nM | EC50 | J Med Chem (2005) 48: 4705-4745 [PMID:16033252] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor subunit alpha-7 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4980] [GtoPdb: 468] [UniProtKB: Q05941] | ||||||||
| ChEMBL | Binding affinity to rat alpha7 nAChR | B | 5.1 | pKi | 8000 | nM | Ki | J Med Chem (2012) 55: 9929-9945 [PMID:23025891] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR in GH4C1 cells | B | 5.24 | pKi | 5820 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2316-2319 [PMID:18356044] |
| ChEMBL | Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells | B | 5.38 | pKi | 4200 | nM | Ki | J Med Chem (2005) 48: 3474-3477 [PMID:15887955] |
| ChEMBL | Displacement of [3H]MLA from rat alpha7 nAChR by liquid scintillation counting | B | 5.77 | pKi | 1700 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
| ChEMBL | Displacement of [125I]alpha-Bungarotoxin from alpha7 nAchR in rat brain cell membrane | B | 6 | pKi | 1000 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 6667-6670 [PMID:20880707] |
| ChEMBL | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds mentioned above were tested for their affinity at different nAChR subtypes, specifically the α4β2, the α3β4 and α7. The protocol for these tests is set out below, and the results are provided at Table 1 below. Binding to Heterologously Expressed_α4β2 and α3β4 Human SubtypesHEK 293 cells were grown in Dulbecco's modified Eagle medium supplemented with 10% fetal bovine serum, 1% L-Glutamine, 100 units/ml penicillin G, and 100 μg/streptomycin in a humidified atmosphere containing 10% CO2. The cDNAs encoding α3 and β4 or α4 and β2 (were transfected into the HEK 293 cells at 30% confluency). The cell transfections were carried out in 100 mm Petri dishes using 30 μL of JetPEI (Polypus, France) (1 mg/ml, pH 7.2) and 3 μg of each cDNA. After 24 h transfection, the cells were collected, washed with PBS by centrifugation, and used for binding analysis.[3H]-epibatidine saturation binding experiments to HEK transfected α3β4 or α4β2 receptors were performed by means of overnight incubation at 4° C. at concentrations ranging from 0.005 to 1 nM in a buffer containing 50 mM Tris-HCl, pH 7, 150 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2.5 mM CaCl2and 2 mg/ml BSA, in the presence (aspecific binding) or absence (total binding) of 100 nM cold epibatidine. Specific ligand binding was defined as total binding minus the binding in the presence of 100 nM cold epibatidine. | B | 6.18 | pKi | 662 | nM | Ki | US-11667638-B2. 4-substitued cytisine analogues (2023) |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates | B | 6.48 | pKi | 331 | nM | Ki | J Med Chem (2009) 52: 4345-4357 [PMID:19548687] |
| ChEMBL | Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in rat cortical membrane | B | 6.52 | pKi | 300 | nM | Ki | Bioorg Med Chem (2010) 18: 4498-4508 [PMID:20478710] |
| ChEMBL | Displacement of [3H]methyllycaconitine from Sprague-Dawley rat brain alpha7 nAChR after 120 mins by liquid scintillation counting analysis | B | 6.58 | pKi | 261 | nM | Ki | Bioorg Med Chem (2013) 21: 7309-7329 [PMID:24145137] |
| ChEMBL | Displacement of [3H]methyllycaconitine from rat forebrain alpha7 nAChR | B | 6.6 | pKi | 250 | nM | Ki | Bioorg Med Chem (2013) 21: 7283-7308 [PMID:24156938] |
| 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 | In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]-alpha-Bungarotoxin in rat brain | B | 9.05 | pKi | 0.9 | nM | Ki | J Med Chem (2001) 44: 4704-4715 [PMID:11741488] |
| 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 | 5.91 | pKi | 1230 | nM | Ki | J Pestic Sci (1992) 17: 231-236 |
ChEMBL data shown on this page come from version 36:
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]
