compound 22 [PMID: 30457869] [Ligand Id: 13013] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4277689
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
neuraminidase 1/Sialidase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2726] [GtoPdb: 3214] [UniProtKB: Q99519]
GtoPdb - - 4.85 pIC50 14000 nM IC50 J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
ChEMBL Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay B 4.85 pIC50 14000 nM IC50 J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
ChEMBL Inhibition of His6-tagged human neuraminidase-1 expressed in HEK293 cells pre-incubated for 15 mins before 4MU-NANA substrate addition and measured after 30 mins by fluorescence based assay B 4.85 pIC50 14000 nM IC50 WO-2018213933-A1. Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase (null)
neuraminidase 2/Sialidase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3200] [GtoPdb: 3258] [UniProtKB: Q9Y3R4]
ChEMBL Competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate for 15 mins and measured every min for 30 mins by Lineweaver-Burk plot analysis B 5.89 pKi 1300 nM Ki J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
GtoPdb - - 5.89 pKi 1300 nM Ki J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
ChEMBL Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay B 5.68 pIC50 2100 nM IC50 J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
ChEMBL Inhibition of N-terminal MBP tagged human neuraminidase-2 expressed in Escherichia coli pre-incubated for 15 mins before 4MU-NANA substrate addition and measured after 30 mins by fluorescence based assay B 5.68 pIC50 2100 nM IC50 WO-2018213933-A1. Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase (null)
GtoPdb - - 5.68 pIC50 2100 nM IC50 J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
Sialidase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4174] [UniProtKB: Q8WWR8]
ChEMBL Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay B 4.33 pIC50 47000 nM IC50 J Med Chem (2018) 61: 11261-11279 [PMID:30457869]
ChEMBL Inhibition of N-terminal GST tagged human neuraminidase-4 expressed in Escherichia coli pre-incubated for 15 mins before 4MU-NANA substrate addition and measured after 30 mins by fluorescence based assay B 4.33 pIC50 47000 nM IC50 WO-2018213933-A1. Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase (null)

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]