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

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: CHEMBL1628690 (A-804598)
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
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 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]