Metabolism

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  1. ALDH1A3 Inhibitor

    KOTX1 is a selective inhibitor of the ALDH1A3 enzyme, demonstrating oral bioactivity. This compound has been shown to enhance glucose tolerance, promote insulin secretion, and regulate blood sugar levels in diabetic mouse models. KOTX1 is a valuable tool for investigating metabolic disorders and the role of ALDH1A3 in diabetes research.
  2. aldh1a1 Inhibitor

    ALDH1A1-IN-2 is a selective inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), an enzyme crucial for the oxidation of cytotoxic aldehydes. By inhibiting ALDH1A1, this compound may contribute to studies focusing on cancer, inflammation, and obesity-related pathways. Its biological activity positions it as a valuable tool for researchers investigating the roles of ALDH enzymes in diverse pathophysiological conditions.
  3. aldehyde dehydrogenase inhibitor

    Nitrefazole is a 4-nitroimidazole derivative functioning as a potent inhibitor of aldehyde dehydrogenase (ALDH). It exhibits strong and sustained inhibition of ALDH, an enzyme critical in alcohol metabolism. This compound is valuable for research applications focused on alcoholism, metabolic studies, and pharmacological modulation of ALDH activity.
  4. Aldehyde Dehydrogenase (ALDH) Inhibitor

    S-Methyl-N,N-diethylthiolcarbamate is an effective inhibitor of aldehyde dehydrogenase (ALDH). This compound serves as the active metabolite of the aldehyde dehydrogenase inhibitor disulfiram, generated through the methylation of diethyldithiocarbamate in mouse liver microsomes. S-Methyl-N,N-diethylthiolcarbamate exhibits significant biological activity, demonstrated by its ability to inhibit rat liver low Km ALDH with an ID50 value of 15.5 mg/kg. In vivo studies indicate that a dose of 20.6 mg/kg can reduce mean arterial pressure and elevate heart rate in rats under ethanol stimulation, highlighting its potential applications in cardiovascular and metabolic research.
  5. ALDH1A2 Inhibitor

    ALDH1A2-IN-1 is a reversible inhibitor targeting the active site of ALDH1A2, demonstrating an IC50 of 0.91 μM and a Kd of 0.26 μM. This compound is characterized by multiple hydrophobic interactions, making it an effective tool for studying the enzyme's role in biological pathways. It is applicable in research focused on cancer metabolism, stem cell differentiation, and neurotransmitter synthesis modulation.
  6. ALDH1 B1 Inhibitor

    IGUANA-1 free base is a selective inhibitor of aldehyde dehydrogenase 1 B1 (ALDH1 B1) with an IC50 value of 30 nM. This compound demonstrates significant anti-proliferative activity against SW480 colorectal cancer cells, achieving IC50 values of 2.46 μM under adherent conditions and 0.39 μM in spheroid cultures. IGUANA-1 free base is a valuable tool for cancer research, particularly in studying the role of ALDH1 B1 in tumor growth and progression.
  7. ALDH-2/MAO Inhibitor

    7-Hydroxy-4-phenylcoumarin is a dual inhibitor of aldehyde dehydrogenase-2 (ALDH-2) and monoamine oxidase (MAO), demonstrating IC50 values of 1.5 µM and 0.5 µM, respectively. This compound exhibits significant biological activity that may influence cellular metabolism and neurotransmitter regulation. It is suitable for research applications focused on neuroprotection and metabolic studies.
  8. ALDH1A1 Inhibitor

    FSI-TN42 is a selective, irreversible inhibitor of ALDH1A1 with an IC50 of 23 nM, demonstrating significant potency with an 800-fold preference over ALDH1A2. This compound is valuable for research applications targeting metabolic pathways involving aldehyde dehydrogenases, particularly in cancer and stem cell studies. Its oral bioavailability makes it a suitable candidate for in vivo investigations of ALDH1A1's role in various biological processes.
  9. Acetaldehyde Dehydrogenase Inhibitor

    Coprine is a mycotoxin derived from Coprinopsis atramentaria that functions as an inhibitor of acetaldehyde dehydrogenase. By inhibiting this enzyme, coprine leads to the accumulation of acetaldehyde, which can trigger the alcohol flushing reaction in susceptible individuals. This compound is useful in research focused on alcohol metabolism and the effects of acetaldehyde accumulation on physiological processes.
  10. ALDH1A1 Inhibitor

    ALDH1A1-IN-4 is a potent inhibitor of aldehyde dehydrogenase (ALDH) A1, demonstrating an IC50 value of 0.32 μM. This compound is significant in cancer research, offering insights into pathways involving ALDH1A1's role in tumor biology and potential therapeutic strategies. Its inhibitory activity may contribute to the understanding of cancer metabolism and the development of novel treatments.
  11. ALDH1A2 Inhibitor

    CM121 is a reversible inhibitor of ALDH1A2, featuring a competitive mechanism with an IC50 of 0.54 μM and a Kd of 1.1 μM. This compound demonstrates significant hydrophobic interactions at the active site, making it a valuable tool for studying ALDH1A2's role in various biological processes. It is suitable for applications in cancer research and stem cell biology, where modulation of aldehyde dehydrogenase activity is of interest.
  12. ALDH1A1 Inhibitor

    ALDH1A1-IN-3 is a selective inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), demonstrating an IC50 value of 0.379 μM. This compound effectively enhances glucose consumption in HepG2 cells, making it a valuable tool for studying glucose metabolism. ALDH1A1-IN-3 is suitable for research applications focused on metabolic regulation and potential therapeutic interventions in metabolic disorders.
  13. ALDH Inhibitor

    Aldi-2 is a selective covalent inhibitor of aldehyde dehydrogenases (ALDHs), exhibiting IC50 values of 2.5, 6.4, and 1.9 μM for ALDH1A1, ALDH2, and ALDH3A1, respectively. This compound is particularly valuable in cancer research, providing insight into the role of ALDHs in tumor metabolism and progression. Its specificity allows for targeted studies on the modulation of ALDH activity within various biological contexts.
  14. Aldehyde Dehydrogenase (ALDH) Inhibitor

    CM026 is a selective inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), demonstrating submicromolar potency. The compound exerts its inhibitory effect through binding to the aldehyde binding pocket, specifically involving a unique glycine residue. CM026 serves as a valuable chemical tool for investigating the role of ALDH1A1 in various pathological conditions and studying its implications in disease research.
  15. ALDH3A1 Inhibitor

    ALDH3A1-IN-4 is a selective inhibitor of ALDH3A1, exhibiting an IC50 of 0.2 μM. This compound interacts with the aldehyde-binding pocket of ALDH3A1 through hydrophobic interactions and van der Waals forces. ALDH3A1-IN-4 functions as a chemosensitizer, enhancing the antiproliferative effects of mafosfamide in ALDH3A1-expressing cancer cells while sparing non-cancer cells. It is particularly relevant for research on lung adenocarcinoma and glioblastoma.
  16. ALDH1A1 Inhibitor

    NCT-501 hydrochloride is a highly potent and selective inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), demonstrating an IC50 of 40 nM. It exhibits superior selectivity against other ALDH isozymes, as well as various dehydrogenases, with IC50 values greater than 57 μM for hALDH1B1, hALDH3A1, and hALDH2. This compound is valuable for research applications focused on cancer biology, neurodegenerative diseases, and other conditions where ALDH1A1 activity plays a critical role.
  17. ALDH3A1 Inhibitor

    ALDH3A1-IN-2 is a potent inhibitor of aldehyde dehydrogenase 3A1 (ALDH3A1) with an IC50 of 1.29 μM. This compound is particularly relevant for research in oncology, as ALDHs, including ALDH3A1, are often overexpressed in various tumor types, such as prostate cancer. ALDH3A1-IN-2 may provide valuable insights into the role of ALDH3A1 in cancer progression and therapeutic intervention.
  18. ALDH Inhibitor

    GA11 is an inhibitor of aldehyde dehydrogenase (ALDH), demonstrating significant anti-glioblastoma activity in both in vitro and in vivo models. This compound is valuable for research applications focusing on cancer biology and therapeutic strategies targeting glioblastoma through ALDH modulation.
  19. ALDH Inhibitor

    CM-39 is a non-covalent, reversible inhibitor of aldehyde dehydrogenase 1A (ALDH1A), exhibiting an IC50 of 0.9 μM. This compound is used in research applications focusing on the modulation of cellular aldehyde metabolism and the study of cancer biology, where ALDH1A plays a significant role in stem cell regulation and chemoresistance. It provides a valuable tool for scientists investigating the therapeutic potential of targeting ALDH pathways in various disease models.
  20. PKM2 Inhibitor

    PKM2-IN-7 is a selective inhibitor of pyruvate kinase M2 (PKM2) that disrupts the interaction between PKM2 and ALDH1A3, demonstrating minimal toxicity to normal cells. This compound is pivotal for investigations into tumor biology, making it an essential tool for research focused on cancer metabolism and tumorigenesis.
  21. NNMT Inhibitor

    JBSNF-000028 free base is a potent inhibitor of nicotinamide N-methyltransferase (NNMT), exhibiting IC50 values of 33 nM, 210 nM, and 190 nM for human, mouse, and monkey NNMT, respectively. This compound effectively reduces endogenous MNA levels in U2OS osteosarcoma cells, with an EC50 of 2.5 μM. JBSNF-000028 free base demonstrates notable anti-obesity and anti-diabetic effects in diet-induced obesity models, making it a valuable tool for researching metabolic disorders, including obesity, type 2 diabetes, and non-alcoholic fatty liver disease.
  22. NNMT Inhibitor

    NCGC00685960 is a potent inhibitor of Nicotinamide N-methyltransferase (NNMT) with an IC50 value of less than 10 nM. This compound exhibits significant antitumor properties by enhancing H3K27 trimethylation levels in ovarian cancer cells and reducing α-SMA expression in NNMT-expressing ovarian fibroblasts. Additionally, NCGC00685960 lowers 1-MNA levels and reverses SAM and H3K27 hypomethylation, effectively diminishing collagen contractility in cancer-associated fibroblasts (CAFs). It is a valuable reagent for cancer research applications.
  23. NNMT Inhibitor

    MS2734 is a potent inhibitor of nicotinamide N-methyltransferase (NNMT), exhibiting an IC50 value of 14 μM against human NNMT (hNNMT). This compound effectively disrupts the methyltransferase activity of NNMT, making it a valuable tool for investigating the role of NNMT in metabolic disorders, neurodegenerative diseases such as Parkinson's disease, and various cancers characterized by elevated NNMT levels. Its utility in research applications extends to the exploration of obesity and diabetes-related mechanisms.
  24. NNMT Inhibitor

    NNMT-IN-6 hydrochloride is a potent inhibitor of nicotinamide N-methyltransferase (NNMT), exhibiting an IC50 value of 1.41 μM and a Kd of 5.6 μM. This compound demonstrates significant inhibitory effects on the proliferation of the HSC-2 human oral cancer cell line, making it a valuable tool for research in cancer biology and NNMT-related pathways. Its ability to modulate NNMT activity may provide insights into therapeutic strategies for diseases associated with altered methylation processes.
  25. NNMT Inhibitor

    NNMT-IN-3 is a highly potent and selective inhibitor of nicotinamide N-methyltransferase (NNMT), exhibiting IC50 values of 1.1 nM in cell-free assays and 0.4 μM in cell-based assays. This compound plays a critical role in studying metabolic disorders and can be utilized in research involving obesity, type 2 diabetes, and cancer. Its specific inhibition of NNMT allows for detailed exploration of the enzyme's involvement in these significant diseases.
  26. NNMT Inhibitor

    II399 is a potent and selective inhibitor of nicotinamide N-methyltransferase (NNMT), featuring an unconventional S-adenosylmethionine (SAM) mimic, with a Ki value of 5.9 nM. This compound shows competitive inhibition for nicotinamide (NAM) by binding to both substrate and cofactor binding sites. II399 is valuable for research applications in cancer, metabolic disorders, cardiovascular diseases, and neurodegenerative conditions.
  27. NNMT Inhibitor

    4-Chloropyridine is an inhibitor of Nicotinamide N-methyltransferase (NNMT), functioning as a substrate and a precursor for suicide inhibition-based protein labeling. This compound enhances the C4 electrophilicity of pyridine nitrogen through NNMT-catalyzed methylation, allowing for aromatic nucleophilic substitution at cysteine C159, resulting in covalent modification and inactivation of NNMT. 4-Chloropyridine is valuable for research into various cancers, facilitating studies on the role of NNMT in tumor biology.
  28. NNMT Inhibitor

    NNMT-IN-6 is a potent inhibitor of nicotinamide N-methyltransferase (NNMT), exhibiting an IC50 value of 1.41 μM and a dissociation constant (Kd) of 5.6 μM. This compound effectively inhibits cell proliferation in the HSC-2 human oral cancer cell line, making it a valuable tool for research focused on cancer biology and metabolism. Its specificity towards NNMT positions it as a promising candidate for further studies in therapeutic applications targeting NNMT-related pathways.
  29. NNMT Inhibitor

    NNMT-IN-7 is a potent inhibitor of nicotine and nicotine metabolism transferase (NNMT) with an IC50 of 505.7 µM. This compound serves as a valuable tool for investigating the role of NNMT in metabolic and chronic diseases. Its use in research may provide insights into therapeutic strategies targeting metabolic disorders linked to altered NNMT activity.
  30. α-Amylase/α-Glucosidase Inhibitor

    α-Amylase/α-Glucosidase-IN-23 is a potent inhibitor of α-amylase and α-glucosidase, demonstrating IC50 values of 73.68 nM and 146.18 nM, respectively. This compound is valuable for research focused on glucose metabolism and the management of hypoglycemia. Its ability to inhibit carbohydrate-hydrolyzing enzymes makes it a useful tool for studies investigating glycemic control and related metabolic disorders.
  31. α-Glucosidase Inhibitor

    Quinoline-2-carboxylic acid functions as an α-glucosidase inhibitor, demonstrating significant potential in the modulation of glucose metabolism. This compound is of interest for its antidiabetic properties and serves as a valuable intermediate for the synthesis of various biologically active compounds in chemical research. Its role in enzyme inhibition makes it a relevant agent for studies aimed at understanding carbohydrate metabolism and diabetes management.
  32. α-amylase Inhibitor

    Chinese gallotannin is a non-specific α-amylase inhibitor, exhibiting a Ki of 0.82 μg/mL against human salivary α-amylase. This compound demonstrates potential biological activity in modulating starch digestion and may be useful in diabetes research. Its inhibition of α-amylase activity positions it as a candidate for studying carbohydrate metabolism and metabolic disorders.
  33. α-Amylase Inhibitor

    α-Amylase-IN-3 is a potent inhibitor of α-Amylase, exhibiting an IC50 of 18.04 μM, and also targets acetylcholinesterase (AChE) with IC50s of 21.04 μM and 22.2 μM, respectively. This compound demonstrates antioxidant activity, making it valuable for studies related to diabetes and diseases associated with oxidative stress. Its biochemical properties make α-Amylase-IN-3 a useful tool for researchers investigating metabolic disorders and neuroprotective mechanisms.
  34. α-Glucosidase Inhibitors

    2,4,6-Triphenylaniline serves as an α-glucosidase inhibitor, demonstrating significant anti-diabetic properties. Its formulation in nano-emulsions enhances stability and bioavailability, enabling more efficient inhibition of both α-glucosidase and α-amylase enzymes. This compound is valuable for research focused on glycemic control and potential therapeutic strategies for diabetes management.
  35. α-amylase Inhibitor, α-glucosidase Inhibitor

    Lotusine is an α-amylase and α-glucosidase inhibitor, demonstrating IC50 values of 30.60 μg/mL and 36.15 μg/mL, respectively. This compound modulates the EGFR-Akt-ERK signaling pathway by lowering the levels of phosphorylated EGFR, Akt, and ERK, leading to apoptosis, G0/G1 cell cycle arrest, and reduced cancer cell proliferation. Additionally, Lotusine decreases lipid peroxidation and enhances the activities of antioxidant enzymes such as SOD, CAT, and GPx. Its potential applications include research in non-small cell lung cancer, type 2 diabetes, and autism spectrum disorder.
  36. α-Glycosidase Inhibitor

    Inulobiose is a difructan disaccharide that serves as an α-glycosidase inhibitor, effectively inhibiting α-glycosidase and α-amylase activities with IC50 values of 1.87 mg/mL and 40.72 mg/mL, respectively. This compound is valuable for research applications focused on diabetes management and glomerular filtration rate assessment, contributing to insights in carbohydrate metabolism and potential therapeutic strategies.
  37. α-Amylase/α-Glucosidase Inhibitor

    α-Amylase/α-Glucosidase-IN-19 is a dual inhibitor targeting α-amylase and α-glucosidase, exhibiting IC50 values of 170.7 μM and 60.37 μM, respectively. This compound demonstrates significant inhibitory activity that may be beneficial in the study of carbohydrate metabolism and the management of diabetes. Its applications include examining mechanisms of enzyme inhibition and exploring potential therapeutic strategies for controlling postprandial glucose levels.
  38. α-amylase/α-glucosidase Inhibitor

    ABCB1-IN-4 is a potent dual inhibitor of α-amylase and α-glucosidase, exhibiting IC50 values of 1.63 μM and 0.14 μM, respectively. This compound demonstrates significant potential in the study of diabetes by modulating carbohydrate metabolism. Its orally active nature makes it a valuable tool for research applications focused on glycemic control and related metabolic pathways.
  39. α-amylase Inhibitor

    5-O-Coumaroylquinic acid is a potent, reversible, non-competitive inhibitor of α-amylase, exhibiting an IC50 value of 69.39 μM. This compound is valuable for research into diabetes, as it interacts with the enzyme involved in carbohydrate metabolism, potentially aiding in the development of therapeutic strategies for glycemic control. Its inhibition of α-amylase may provide insights into managing postprandial glucose levels.
  40. α-amylase Inhibitor

    8,3′,4′-Trihydroxyflavone-7-O-β-D-glucopyranoside is a natural compound derived from Bidens bipinnata, acting as an α-amylase inhibitor. It exhibits a 22% inhibitory effect on α-amylase activity at a concentration of 0.556 mg/mL. This compound may be of interest for research in diabetes management and carbohydrate metabolism studies.
  41. α-Amylase Inhibitor

    α-Amylase-IN-5 is a potent inhibitor of α-amylase, demonstrating an IC50 value of 18.8 mM. This compound is primarily utilized in research focused on carbohydrate metabolism, obesity, and diabetes management. It serves as a valuable tool for investigating the role of α-amylase in digestive processes and can aid in the development of therapeutic strategies targeting carbohydrate absorption.
  42. α‑amylase Inhibitor

    α-Amylase-IN-8 is a selective inhibitor of α-amylase, with an IC50 value of 58.1 μM. This compound is valuable for research focused on type 2 diabetes, where the modulation of carbohydrate metabolism is of interest. Its inhibition of α-amylase can help in the understanding of glucose absorption and the subsequent effects on blood sugar levels.
  43. α-Amylase Inhibitor

    α-Amylase-IN-1 is a potent α-Amylase inhibitor with an IC50 value of 0.5509 μM, making it an effective tool for research in carbohydrate metabolism. Additionally, it exhibits antioxidant activity, demonstrating an IC50 value of 53.49 μM for scavenging DPPH free radicals. This compound is valuable for studies related to diabetes management and the effects of oxidative stress on cellular health.
  44. α-Amylase Inhibitor

    3,5,6,7,8,4'-Hexamethoxyflavone is an α-Amylase inhibitor, demonstrating 28.3% inhibitory activity at a concentration of 500 μM. This compound is valuable in studying carbohydrate metabolism and has potential applications in diabetes research and obesity management. Its inhibitory properties make it suitable for investigating metabolic pathways and developing therapeutic strategies targeting α-Amylase.
  45. MAO Inhibitor

    MAO-B-IN-46 is a selective inhibitor of human monoamine oxidase B (hMAO-B) with an IC50 of 26.8 nM, exhibiting weak inhibition of hMAO-A (IC50: 7.2054 μM). This compound also functions as an α-amylase inhibitor, presenting an IC50 of 19.46 μM. Its neuroprotective properties demonstrate the potential for investigating neurodegenerative conditions such as Parkinson's disease, while its ability to scavenge DPPH and ABTS free radicals (IC50 values of 17.86 μM and 17.71 μM, respectively) highlights its relevance in research related to oxidative stress and diabetes. MAO-B-IN-46 shows minimal toxicity to human gingival fibroblasts and SH-SY5Y cells.
  46. α-Amylase Inhibitor

    α-Amylase-IN-9 is a potent α-Amylase inhibitor with an IC50 value of 14.64 μM. This compound is specifically designed for use in diabetes research, aiding in the exploration of glucose regulation and carbohydrate metabolism. Its inhibitory activity on α-Amylase makes it a valuable tool for studying potential therapeutic approaches to managing hyperglycemia and related metabolic disorders.
  47. HPA Inhibitor

    HPA-IN-2 is a potent and selective inhibitor of human pancreatic α-amylase (HPA) with an IC50 value of 8.2 μM, demonstrating its efficacy in modulating carbohydrate digestion. In contrast, it shows significantly weaker inhibition of α-glucosidase with an IC50 of 450.7 μM. This compound is utilized in research focused on diabetes and metabolic disorders, particularly in understanding the regulation of carbohydrate metabolism.
  48. α-glucosidase/α-amylase Inhibitor

    Sekikaic acid is a potent inhibitor of α-glucosidase and α-amylase, playing a significant role in the management of carbohydrate metabolism. Its biological activities include hypolipidemic and antioxidant effects, as well as antidiabetic properties, making it a valuable compound for research into metabolic disorders. Sekikaic acid has been shown to significantly reduce LDL cholesterol, total cholesterol, and triglyceride levels, while also promoting the regeneration of pancreatic beta cells. This compound is an essential tool for studies focused on diabetes and lipid metabolism.
  49. α-amylase Inhibitor

    α-Amylase-IN-12 is a selective inhibitor of α-amylase, exhibiting a mixed inhibition mechanism with an IC50 value of 0.15 mM. It also demonstrates an IC50 of 9.40 mM against α-glucosidase. This compound promotes glucose uptake in yeast cells and shows notable antiglycation activity at elevated concentrations. α-Amylase-IN-12 is applicable in diabetes research, providing insights into carbohydrate metabolism and potential therapeutic strategies.
  50. α-Amylase Inhibitor

    Onjisaponin R serves as a specific α-amylase inhibitor, pivotal in regulating carbohydrate metabolism. It demonstrates significant potential in diabetes research by modulating blood glucose levels and enhancing glycemic control. This compound is essential for studies exploring therapeutic strategies for diabetes management and related metabolic disorders.

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