DDD85646 [Ligand Id: 11455] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1230468
  • Glycylpeptide N-tetradecanoyltransferase in Leishmania major [ChEMBL: CHEMBL1949483] [UniProtKB: Q4Q5S8]
  • Glycylpeptide N-tetradecanoyltransferase in Trypanosoma brucei brucei (strain 927/4 GUTat10.1) [ChEMBL: CHEMBL3988596] [UniProtKB: Q388H8]
  • Glycylpeptide N-tetradecanoyltransferase in Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus) [ChEMBL: CHEMBL3988591] [UniProtKB: Q9UVX3]
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  • Peptide N-myristoyltransferase 1 in Human [ChEMBL: CHEMBL2593] [UniProtKB: P30419]
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  • Peptide N-myristoyltransferase 2 in Human [ChEMBL: CHEMBL2849] [UniProtKB: O60551]
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  • Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase in Plasmodium falciparum [GtoPdb: 2955]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Glycylpeptide N-tetradecanoyltransferase in Leishmania major (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1949483] [UniProtKB: Q4Q5S8]
ChEMBL Inhibition of Leishmania major NMT L421Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay B 7.38 pKi 41.3 nM Ki J Med Chem (2020) 63: 2095-2113 [PMID:31423787]
ChEMBL Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay B 7.86 pKi 13.9 nM Ki J Med Chem (2020) 63: 2095-2113 [PMID:31423787]
ChEMBL Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay B 8.08 pKi 8.4 nM Ki J Med Chem (2020) 63: 2095-2113 [PMID:31423787]
ChEMBL Inhibition of Leishmania major N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay B 8.7 pIC50 2 nM IC50 J. Med. Chem. (2012) 55: 140-152 [PMID:22148754]
Glycylpeptide N-tetradecanoyltransferase in Trypanosoma brucei brucei (strain 927/4 GUTat10.1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3988596] [UniProtKB: Q388H8]
ChEMBL Enzyme Inhibition Assay: Measurements were performed using a modification of the scintillation proximity assay platform described previously by Georgopapadakou, N. H. et al. (22nd International Congress on Chemotherapy, 2001, Abstract P16.001). Compounds were solubilised in DMSO at a top concentration of 10 mM and serially diluted in half log steps to achieve a range of final assay concentrations of 100 uM to 1 nM. Compound at each concentration (100-fold final) was added to white 384 well plates in a volume of 0.5 ml. Human, A. fumigatus, T. brucei or L. major N-myristoyl transferase enzyme, dissolved to a working concentration of 10 nM in assay buffer (30 mM Tris/HCl pH 7.4, 0.5 mM EGTA, 0.5 mM EDTA, 1.25 mM DTT, 0.1% Triton X-100), was then added to columns 1 to 11 and 13 to 23 of the plates in a volume of 20 ml. To columns 12 and 24, 20 ml assay buffer was added to provide a no enzyme control. Following a 5 minute incubation at room temperature the substrates (GCGGSKVKPQPPQAK(Biotin)-Amide and myristoyl coenzyme A), dissolved in assay buffer, were added to all wells in a volume of 20 ml to start the reaction. The final concentrations of peptide and 3H-myristoyl coenzyme A were 0.5 mM and 125 nM respectively and the specific activity of the radiolabel was 8 Ci/mmol. Plates were then incubated at room temperature for up to 50 minutes (dependant upon the period of linearity for the different enzyme species) before SPA beads, suspended to 1 mg/ml in a stop solution (200 mM Phosphoric Acid/NaOH pH 4, 750 mM MgCl2), were added in a volume of 40 ml. B 9 pIC50 1 nM IC50 US-9156811-B2. N-myristoyl transferase inhibitors (2015)
Glycylpeptide N-tetradecanoyltransferase in Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3988591] [UniProtKB: Q9UVX3]
ChEMBL Enzyme Inhibition Assay: Measurements were performed using a modification of the scintillation proximity assay platform described previously by Georgopapadakou, N. H. et al. (22nd International Congress on Chemotherapy, 2001, Abstract P16.001). Compounds were solubilised in DMSO at a top concentration of 10 mM and serially diluted in half log steps to achieve a range of final assay concentrations of 100 uM to 1 nM. Compound at each concentration (100-fold final) was added to white 384 well plates in a volume of 0.5 ml. Human, A. fumigatus, T. brucei or L. major N-myristoyl transferase enzyme, dissolved to a working concentration of 10 nM in assay buffer (30 mM Tris/HCl pH 7.4, 0.5 mM EGTA, 0.5 mM EDTA, 1.25 mM DTT, 0.1% Triton X-100), was then added to columns 1 to 11 and 13 to 23 of the plates in a volume of 20 ml. To columns 12 and 24, 20 ml assay buffer was added to provide a no enzyme control. Following a 5 minute incubation at room temperature the substrates (GCGGSKVKPQPPQAK(Biotin)-Amide and myristoyl coenzyme A), dissolved in assay buffer, were added to all wells in a volume of 20 ml to start the reaction. The final concentrations of peptide and 3H-myristoyl coenzyme A were 0.5 mM and 125 nM respectively and the specific activity of the radiolabel was 8 Ci/mmol. Plates were then incubated at room temperature for up to 50 minutes (dependant upon the period of linearity for the different enzyme species) before SPA beads, suspended to 1 mg/ml in a stop solution (200 mM Phosphoric Acid/NaOH pH 4, 750 mM MgCl2), were added in a volume of 40 ml. B 8.05 pIC50 9 nM IC50 US-9156811-B2. N-myristoyl transferase inhibitors (2015)
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG by automated patch clamp assay B 4.55 pIC50 28000 nM IC50 J. Med. Chem. (2012) 55: 140-152 [PMID:22148754]
ChEMBL Inhibition of human ERG B 4.55 pIC50 28000 nM IC50 J. Med. Chem. (2014) 57: 9855-9869 [PMID:25412409]
Peptide N-myristoyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2593] [UniProtKB: P30419]
ChEMBL Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method B 8.4 pIC50 4 nM IC50 J Med Chem (2017) 60: 9790-9806 [PMID:29125744]
ChEMBL Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay B 8.52 pIC50 3 nM IC50 J. Med. Chem. (2012) 55: 140-152 [PMID:22148754]
ChEMBL Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay B 8.52 pIC50 3 nM IC50 J. Med. Chem. (2014) 57: 9855-9869 [PMID:25412409]
ChEMBL Enzyme Inhibition Assay: Measurements were performed using a modification of the scintillation proximity assay platform described previously by Georgopapadakou, N. H. et al. (22nd International Congress on Chemotherapy, 2001, Abstract P16.001). Compounds were solubilised in DMSO at a top concentration of 10 mM and serially diluted in half log steps to achieve a range of final assay concentrations of 100 uM to 1 nM. Compound at each concentration (100-fold final) was added to white 384 well plates in a volume of 0.5 ml. Human, A. fumigatus, T. brucei or L. major N-myristoyl transferase enzyme, dissolved to a working concentration of 10 nM in assay buffer (30 mM Tris/HCl pH 7.4, 0.5 mM EGTA, 0.5 mM EDTA, 1.25 mM DTT, 0.1% Triton X-100), was then added to columns 1 to 11 and 13 to 23 of the plates in a volume of 20 ml. To columns 12 and 24, 20 ml assay buffer was added to provide a no enzyme control. Following a 5 minute incubation at room temperature the substrates (GCGGSKVKPQPPQAK(Biotin)-Amide and myristoyl coenzyme A), dissolved in assay buffer, were added to all wells in a volume of 20 ml to start the reaction. The final concentrations of peptide and 3H-myristoyl coenzyme A were 0.5 mM and 125 nM respectively and the specific activity of the radiolabel was 8 Ci/mmol. Plates were then incubated at room temperature for up to 50 minutes (dependant upon the period of linearity for the different enzyme species) before SPA beads, suspended to 1 mg/ml in a stop solution (200 mM Phosphoric Acid/NaOH pH 4, 750 mM MgCl2), were added in a volume of 40 ml. B 8.52 pIC50 3 nM IC50 US-9156811-B2. N-myristoyl transferase inhibitors (2015)
Peptide N-myristoyltransferase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2849] [UniProtKB: O60551]
ChEMBL Inhibition of human N-myristoyltransferase 2 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay B 8.52 pIC50 3 nM IC50 J. Med. Chem. (2014) 57: 9855-9869 [PMID:25412409]
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase in Plasmodium falciparum [GtoPdb: 2955]
GtoPdb Parasite growth inhibition assay - 6.6 pEC50 250 nM EC50 Nat Chem (2014) 6: 112-21 [PMID:24451586]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]