reactive blue-2 [Ligand Id: 1739] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1160031 (Reactive Blue 2)
  • choline O-acetyltransferase/Choline acetylase in Human [ChEMBL: CHEMBL4039] [GtoPdb: 2480] [UniProtKB: P28329]
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  • Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 in Human [ChEMBL: CHEMBL5925] [UniProtKB: P22413]
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  • Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 in Human [ChEMBL: CHEMBL5580] [UniProtKB: O14638]
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  • P2Y2 receptor in Human [GtoPdb: 324] [UniProtKB: P41231]
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  • P2Y4 receptor in Rat [GtoPdb: 325] [UniProtKB: O35811]
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  • P2Y6 receptor in Human [GtoPdb: 326] [UniProtKB: Q15077]
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  • P2Y11 receptor in Human [GtoPdb: 327] [UniProtKB: Q96G91]
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  • P2Y13 receptor in Human [GtoPdb: 329] [UniProtKB: Q9BPV8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
choline O-acetyltransferase/Choline acetylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4039] [GtoPdb: 2480] [UniProtKB: P28329]
ChEMBL Inhibition of choline acetyltransferase isolated from squid head ganglia B 6.1 pKi 800 nM Ki J Med Chem (1981) 24: 1534-1537 [PMID:7310833]
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5925] [UniProtKB: P22413]
ChEMBL Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analysis B 6.28 pKi 520 nM Ki Bioorg Med Chem (2016) 24: 3157-3165 [PMID:27265686]
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5580] [UniProtKB: O14638]
ChEMBL Inhibition of recombinant human soluble NPP3 expressed in Sf9 insect cells using ATP as substrate measured after 4 hrs by capillary electrophoresis B 6.15 pKi 710 nM Ki RSC Med Chem (2021) 12: 1187-1206 [PMID:34355184]
ChEMBL Inhibition of recombinant human NPP3 expressed in CHO cells using ATP as substrate measured after 20 mins by mini-capillary electrophoresis B 6.15 pKi 710 nM Ki RSC Med Chem (2021) 12: 1187-1206 [PMID:34355184]
P2Y2 receptor in Human [GtoPdb: 324] [UniProtKB: P41231]
GtoPdb - - 6 pIC50 - - - Br J Pharmacol (1999) 127: 709-16 [PMID:10401562]
P2Y4 receptor in Rat [GtoPdb: 325] [UniProtKB: O35811]
GtoPdb - - 4.7 pIC50 - - - Br J Pharmacol (1998) 124: 428-30 [PMID:9647463]
P2Y6 receptor in Human [GtoPdb: 326] [UniProtKB: Q15077]
GtoPdb - - 4.5 pIC50 31000 nM IC50 Curr Med Chem (2006) 13: 289-312 [PMID:16475938]
P2Y11 receptor in Human [GtoPdb: 327] [UniProtKB: Q96G91]
GtoPdb - - 5 pIC50 - - - Br J Pharmacol (1999) 128: 1199-206 [PMID:10578132]
P2Y13 receptor in Human [GtoPdb: 329] [UniProtKB: Q9BPV8]
GtoPdb - - 5.7 pIC50 - - - Mol Pharmacol (2003) 64: 104-12 [PMID:12815166]

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]