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 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]
