PNU-282987 [Ligand Id: 3988] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL177611 (PNU-282987) |
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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 | 5.44 | pKd | 3630.78 | nM | Kd | J Med Chem (2010) 53: 7192-7201 [PMID:20828128] |
| ChEMBL | Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system | B | 5.68 | pKi | 2089.3 | nM | Ki | J Med Chem (2010) 53: 7192-7201 [PMID:20828128] |
| 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 | Agonist activity at alpha1beta1gammadelta nAChR (unknown origin) | B | 4.22 | pKi | >=60000 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Inhibition of alpha-1-beta-1-gamma-delta nAChR expressed in TE671cells by FLIPR assay | F | 4.22 | pIC50 | >60000 | nM | IC50 | J Med Chem (2006) 49: 4425-4436 [PMID:16821801] |
| 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 | Agonist activity at alpha3beta4 nAChR (unknown origin) | B | 4.22 | pKi | >=60000 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Inhibition of alpha-3-beta-4 nAChR expressed in SHSY5Y cells by FLIPR assay | F | 4.22 | pIC50 | >60000 | nM | IC50 | J Med Chem (2006) 49: 4425-4436 [PMID:16821801] |
| 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 | Agonist activity at alpha7 nAChR (unknown origin) | B | 7.59 | pKi | 26 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
| ChEMBL | Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells | B | 7.61 | pKi | 24.55 | nM | Ki | J Med Chem (2010) 53: 7192-7201 [PMID:20828128] |
| ChEMBL | Agonist activity at alpha7-5HT3 chimera expressed in human SH-EP1 cells by FLIPR assay | F | 6.89 | pEC50 | 128 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 3611-3615 [PMID:18490160] |
| 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 alpha-7 nAChR in Sprague-Dawley rat brain homogenates | B | 7.62 | pKi | 24 | nM | Ki | J Med Chem (2006) 49: 4425-4436 [PMID:16821801] |
| ChEMBL | Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain | B | 7.62 | pKi | 24 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 3611-3615 [PMID:18490160] |
| ChEMBL | Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices | B | 7.77 | pKi | 17 | nM | Ki | Eur J Med Chem (2016) 107: 153-164 [PMID:26580980] |
| 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 | Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay | F | 5.34 | pKi | 4540 | nM | Ki | J Med Chem (2006) 49: 4425-4436 [PMID:16821801] |
| ChEMBL | Binding affinity to 5HT3 receptor | B | 5.78 | pKi | 1662 | nM | Ki | J Med Chem (2006) 49: 4425-4436 [PMID:16821801] |
| 5-HT3A/Serotonin 3a (5-HT3a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098] | ||||||||
| ChEMBL | Inhibition of 5-HT3 receptor (unknown origin) | B | 6.03 | pKi | 930 | nM | Ki | J Med Chem (2014) 57: 8204-8223 [PMID:24901260] |
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]
