PF-07202954 [Ligand Id: 13010] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4875314 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2375207] [UniProtKB: P26572] | ||||||||
| ChEMBL | Inhibition of MGAT1 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321630] [UniProtKB: Q10469] | ||||||||
| ChEMBL | Inhibition of MGAT2 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2375206] [UniProtKB: Q09327] | ||||||||
| ChEMBL | Inhibition of MGAT3 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| diacylglycerol O-acyltransferase 1/Diacylglycerol O-acyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6009] [GtoPdb: 2821] [UniProtKB: O75907] | ||||||||
| ChEMBL | Inhibition of DGAT1 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| diacylglycerol O-acyltransferase 2/Diacylglycerol O-acyltransferase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5853] [GtoPdb: 3211] [UniProtKB: Q96PD7] | ||||||||
| ChEMBL | Inhibition of DGAT2 in human hepatocytes using [14C]-glycerol as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by thin layer chromatography | B | 7.96 | pIC50 | 11 | nM | IC50 | ACS Med Chem Lett (2021) 12: 1073-1074 [PMID:34267875] |
| ChEMBL | Inhibition of DGAT2 in human hepatocytes using 14C-glycerol as a substrate pre incubated for 45 mins followed by substrate addition and measured after 3 hrs by thin-layer chromatography | B | 7.96 | pIC50 | 11 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| GtoPdb | - | - | 8 | pIC50 | 10 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| ChEMBL | Inhibition of human DGAT2 using 14C decanoyl-CoA as a substrate pre incubated for 2 hrs followed by substrate addition measured after 40 mins by Trilux Microbeta reader analysis | B | 8 | pIC50 | 10 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
| ChEMBL | In Vitro Assay: For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 μL of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 μL of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical, dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 μL of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 μL of substrates containing 30 μM [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 μM 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 μL of 1% H3PO4. After the addition of 45 μL MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase. | B | 8 | pIC50 | 10 | nM | IC50 | US-11065249-B2. Diacylglycerol acyl transferase 2 inhibitor (2021) |
| ChEMBL | In Vitro DGAT2 Assay and Determination of IC50 Values for DGAT2 Inhibitors: For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 μL of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 μL of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 μL of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 μL of substrates containing 30 μM [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 μM 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 μL of 1% H3PO4. After the addition of 45 μL MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.Background activity obtained using 50 μM of ((R)-1-(2-((S)-1-(4-chloro-1H-pyrazol-1-yl)ethyl)-3H-imidazo[4,5-b]pyridin-5-yl)piperidin-3-yl)(pyrrolidin-1-yl)methanone (WO 2013150416, Example 196-A) for complete inhibition of DGAT2 was subtracted from all reactions. Inhibitors were tested at eleven different concentrations to generate IC50 values for each compound. The eleven inhibitor concentrations employed typically included 50, 15.8, 5, 1.58, 0.50, 0.16, 0.05, 0.016, 0.005, 0.0016, and 0.0005 μM. The data were plotted as percentage of inhibition versus inhibitor concentration and fit to the equation, y=100/[1+(x/IC50)z], where IC50 is the inhibitor concentration at 50% inhibition and z is the Hill slope (the slope of the curve at its inflection point). | B | 8 | pIC50 | 10 | nM | IC50 | US-11471458-B2. Diacylglycerol acyl transferase 2 inhibitor (2022) |
| diacylglycerol O-acyltransferase 2/Diacylglycerol O-acyltransferase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295847] [GtoPdb: 3211] [UniProtKB: Q5FVP8] | ||||||||
| ChEMBL | Inhibition of rat DGAT2 using 14C decanoyl-CoA as a substrate pre incubated for 2 hrs followed by substrate addition measured after 40 mins by Trilux Microbeta reader analysis | B | 7.77 | pIC50 | 17 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1427-1433 [PMID:37849537] |
ChEMBL data shown on this page come from version 36:
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]
