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 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]