AF-906 [Ligand Id: 9538] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL494161 (Ro-51)
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
P2X3/P2X2/P2X2/P2X3 heterotrimeric receptor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3831281] [GtoPdb: 480, 479] [UniProtKB: P56373, Q9UBL9]
ChEMBL Antagonist activity against human P2X2/3 receptor expressed in CHOK1 cells assessed as inhibition of alpha,beta-meATP-induced calcium response incubated for 20 mins by Fluo-3AM dye based FLIPR assay F 8.1 pKi 7.94 nM Ki US-20080207655-A1. Diaminopyrimidines as P2X3 and P2X2/3 modulators (2008)
ChEMBL Antagonist activity at human P2X2/3 receptor B 7.35 pIC50 44.9 nM IC50 Bioorg Med Chem Lett (2021) 37: 127833-127833 [PMID:33540044]
ChEMBL Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR F 8.3 pIC50 5.01 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
GtoPdb - - 8.9 pIC50 - - - Neuropharmacology (2016) 104: 31-49 [PMID:26686393]
P2X1/P2X purinoceptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2094] [GtoPdb: 478] [UniProtKB: P51575]
ChEMBL Antagonist activity at P2X1 receptor up to 10 uM F 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
ChEMBL Antagonist activity at human P2X1 receptor expressed in rat C6-BU-1 cells B 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2021) 37: 127833-127833 [PMID:33540044]
P2X2/P2X purinoceptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2531] [GtoPdb: 479] [UniProtKB: Q9UBL9]
ChEMBL Antagonist activity at P2X2 receptor up to 10 uM F 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
ChEMBL Antagonist activity at human P2X2 receptor expressed in rat C6-BU-1 cells B 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2021) 37: 127833-127833 [PMID:33540044]
P2X3/P2X purinoceptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2998] [GtoPdb: 480] [UniProtKB: P56373]
ChEMBL Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells B 8.2 pIC50 6.3 nM IC50 Bioorg Med Chem Lett (2021) 37: 127833-127833 [PMID:33540044]
GtoPdb - - 8.9 pIC50 - - - Neuropharmacology (2016) 104: 31-49 [PMID:26686393]
P2X3/P2X purinoceptor 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4824] [GtoPdb: 480] [UniProtKB: P49654]
ChEMBL Antagonist activity against rat P2X3 receptor expressed in CHOK1 cells assessed as inhibition of alpha,beta-meATP-induced calcium response incubated for 20 mins by Fluo-3AM dye based FLIPR assay F 8.53 pKi 2.95 nM Ki US-20080207655-A1. Diaminopyrimidines as P2X3 and P2X2/3 modulators (2008)
ChEMBL Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR F 8.7 pIC50 2 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
P2X4/P2X purinoceptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2104] [GtoPdb: 481] [UniProtKB: Q99571]
ChEMBL Antagonist activity at P2X4 receptor up to 10 uM F 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
ChEMBL Antagonist activity at human P2X4 receptor expressed in rat C6-BU-1 cells B 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2021) 37: 127833-127833 [PMID:33540044]
P2X5/P2X purinoceptor 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4942] [GtoPdb: 482] [UniProtKB: Q93086]
ChEMBL Antagonist activity at P2X5 receptor up to 10 uM F 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
P2X7/P2X purinoceptor 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4805] [GtoPdb: 484] [UniProtKB: Q99572]
ChEMBL Antagonist activity at P2X7 receptor up to 10 uM F 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2009) 19: 1632-1635 [PMID:19231178]
ChEMBL Antagonist activity at human P2X7 receptor expressed in HEK293 cells B 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2021) 37: 127833-127833 [PMID:33540044]

ChEMBL data shown on this page come from version 32:

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]