DDD85646 [Ligand Id: 11455] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1230468 |
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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 N-myristoyltransferase 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 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]
