S-OOPP [Ligand Id: 6493] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1214256
  • N-Acylethanolamine acid amidase/N-acylethanolamine-hydrolyzing acid amidase in Rat [ChEMBL: CHEMBL2034805] [GtoPdb: 1402] [UniProtKB: Q5KTC7]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
N-Acylethanolamine acid amidase/N-acylethanolamine-hydrolyzing acid amidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034805] [GtoPdb: 1402] [UniProtKB: Q5KTC7]
ChEMBL Inhibition of rat recombinant NAAA expressed in HEK293 cells after 30 mins B 6.38 pIC50 420 nM IC50 J Med Chem (2010) 53: 5770-5781 [PMID:20604568]
ChEMBL Inhibition of recombinant rat lung NAAA enzyme using heptadecenoylethanolamide as substrate by LC/MS analysis B 6.38 pIC50 420 nM IC50 J Med Chem (2013) 56: 6917-6934 [PMID:23991897]
ChEMBL NAAA Assay: Recombinant NAAA or native rat lung NAAA was incubated at 37 °C. for 30 min in 0.2 ml of sodium hydrogen phosphate buffer (50 mM, pH 5.0) containing 0.1% Triton X-100, 3 mM dithiothreitol (DTT) and 50 mM heptadecenoylethanolamide as substrate. The reaction was terminated by the addition of 0.2 ml cold methanol containing 1 mmol of heptadecanoic acid (HDA, NuChek Prep, Elysian, Minn.). Samples were analyzed by LC/MS (liquid chromatography/mass spectrometry). Heptadecanoic acid was eluted on an XDB Eclipse C18 column isocratically at 2.2 ml/min for 1 min with a solvent mixture of 95% methanol and 5% water, both containing 0.25% acetic acid and 5 mM ammonium acetate. The column temperature was 50 °C. ESI was in the negative mode, capillary voltage was 4 kV, and fragmentor voltage was 100 V. N2 was used as drying gas at a flow rate of 13 liters/min and a temperature of 350 °C. Nebulizer pressure was set at 60 psi. B 6.38 pIC50 420 nM IC50 US-9321743-B2. Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase (2016)
ChEMBL Inhibition of rat NAAA B 6.38 pIC50 420 nM IC50 J Med Chem (2020) 63: 7475-7490 [PMID:32191459]
GtoPdb - - 6.4 pIC50 - - - Proc Natl Acad Sci USA (2009) 106: 20966-71 [PMID:19926854]

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]