PHA-543613 [Ligand Id: 3998] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL214268 (J3.179.420J, Pha-00543613, Pha-543613, PHA-543613, PHA-543,613)
  • 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 [ChEMBL: CHEMBL1907588] [GtoPdb: 462475471476] [UniProtKB: P02708P07510P11230Q07001]
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  • nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
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  • nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544]
  • nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Rat [ChEMBL: CHEMBL4980] [GtoPdb: 468] [UniProtKB: Q05941]
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  • 5-HT3A/Serotonin 3a (5-HT3a) receptor in Rat [ChEMBL: CHEMBL2411] [GtoPdb: 373] [UniProtKB: P35563]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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: 462475471476] [UniProtKB: P02708P07510P11230Q07001]
ChEMBL Inhibition of alpha-1-beta-1-gamma-delta nAChR expressed in TE671cells by FLIPR assay F 4 pIC50 >100000 nM IC50 J. Med. Chem. (2006) 49: 4425-4436 [PMID:16821801]
ChEMBL Activity at alpha-1-beta-1-gamma-delta nACh receptor expressed in human TE671 cells by FLIPR assay B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 3611-3615 [PMID:18490160]
nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
ChEMBL Inhibition of alpha-3-beta-4 nAChR expressed in SHSY5Y cells by FLIPR assay F 4 pIC50 >100000 nM IC50 J. Med. Chem. (2006) 49: 4425-4436 [PMID:16821801]
ChEMBL Activity at alpha-3-beta-4 nACh receptor expressed in human SH-SY5Y cells by FLIPR assay B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 3611-3615 [PMID:18490160]
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]MLA from alpha-7 nACh receptor in human IMR32 cells B 8.15 pKi 7 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 3611-3615 [PMID:18490160]
ChEMBL Agonist activity at alpha7-5HT3 chimera expressed in human SH-EP1 cells by FLIPR assay F 7.19 pEC50 65 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 nACh receptor in rat brain B 8.05 pKi 9 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 3611-3615 [PMID:18490160]
ChEMBL Displacement of [3H]MLA from alpha-7 nAChR in Sprague-Dawley rat brain homogenates B 8.06 pKi 8.8 nM Ki J. Med. Chem. (2006) 49: 4425-4436 [PMID:16821801]
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: 377374373376375] [UniProtKB: A5X5Y0O95264P46098Q70Z44Q8WXA8]
ChEMBL Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay F 6.2 pKi 628 nM Ki J. Med. Chem. (2006) 49: 4425-4436 [PMID:16821801]
ChEMBL Binding affinity to 5HT3 receptor B 6.29 pKi 511 nM Ki J. Med. Chem. (2006) 49: 4425-4436 [PMID:16821801]
5-HT3A/Serotonin 3a (5-HT3a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2411] [GtoPdb: 373] [UniProtKB: P35563]
ChEMBL Binding affinity to rat 5HT3 receptor B 6.2 pKi 630 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 3611-3615 [PMID:18490160]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]