A804598 [Ligand Id: 4121] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1628690 (A-804598)
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
P2X7/P2X purinoceptor 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4805] [GtoPdb: 484] [UniProtKB: Q99572]
ChEMBL Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay B 8.05 pKi 8.9 nM Ki J Med Chem (2021) 64: 4891-4902 [PMID:33822617]
ChEMBL Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced YO-PRO-1 Iodide uptake measured every 30 secs for 1 hr by fluorescence assay B 7.03 pIC50 93 nM IC50 Eur J Med Chem (2017) 130: 433-439 [PMID:28279849]
ChEMBL Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLIPR analysis B 7.49 pIC50 32 nM IC50 J Med Chem (2021) 64: 4891-4902 [PMID:33822617]
GtoPdb - - 8 pIC50 ~10 nM IC50
ChEMBL Antagonist activity at P2X7 receptor in LPS-stimulated human THP1 cells assessed as inhibition of LPS/BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP addition measured after 30 mins by ELISA B 8.05 pIC50 9 nM IC50 Eur J Med Chem (2017) 130: 433-439 [PMID:28279849]
ChEMBL Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay B 8.05 pIC50 9 nM IC50 Eur J Med Chem (2017) 130: 433-439 [PMID:28279849]
P2X7/P2X purinoceptor 7 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5183] [GtoPdb: 484] [UniProtKB: Q9Z1M0]
ChEMBL Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay B 7.22 pKi 60 nM Ki J Med Chem (2021) 64: 4891-4902 [PMID:33822617]
ChEMBL Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLIPR analysis B 7.47 pIC50 34 nM IC50 J Med Chem (2021) 64: 4891-4902 [PMID:33822617]
ChEMBL Antagonist activity at mouse P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay B 8.05 pIC50 9 nM IC50 Eur J Med Chem (2017) 130: 433-439 [PMID:28279849]
P2X7/P2X purinoceptor 7 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2496] [GtoPdb: 484] [UniProtKB: Q64663]
ChEMBL Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay B 8.41 pKi 3.9 nM Ki J Med Chem (2021) 64: 4891-4902 [PMID:33822617]
ChEMBL Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay B 8.05 pIC50 9 nM IC50 Eur J Med Chem (2017) 130: 433-439 [PMID:28279849]
ChEMBL Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLIPR analysis B 8.21 pIC50 6.1 nM IC50 J Med Chem (2021) 64: 4891-4902 [PMID:33822617]

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]