Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL440464 ((+/-)nicotine) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
CYP2A6/Cytochrome P450 2A6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5282] [GtoPdb: 1321] [UniProtKB: P11509] | ||||||||
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) |
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 | Binding affinity to human alpha3beta4 nAChR | B | 8.3 | pKi | 5 | nM | Ki | Bioorg Med Chem (2020) 28: 115820-115820 [PMID:33120080] |
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]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] |
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] | ||||||||
GtoPdb | - | - | 9.4 | pKd | 0.4 | nM | Kd | |
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 | 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 | 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] |
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 [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] |
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] |
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 Rat [GtoPdb: 465, 468, 466, 473, 474, 464, 463, 472, 467] [UniProtKB: P09483, Q05941, P20420, P12391, P12392, P04757, P12389, P12390, P43143] | ||||||||
GtoPdb | - | - | 9.4 | pKd | 0.4 | nM | Kd | |
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 | 4.22 | pKi | 59900 | nM | Ki | J Pestic Sci (1992) 17: 231-236 |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]