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Literature summary extracted from
- Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2 (2016), Eur. J. Med. Chem., 112, 280-288 .
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.1.1.1 | 18beta-11-deoxo-olean-12-en-30-oic acid | - |
Homo sapiens |  |
| 3.1.1.1 | 18beta-11-deoxo-olean-12-en-30-oic acid ethyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-11-oxo-olean-12-en-30-oic acid ethyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-11-oxo-olean-12-en-30-oic acid methyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-11-oxo-olean-12-en-30-oic acid-(20-dimethylamino)ethyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-3, 11-dioxo-olean-12-en-30-oic acid | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-3-O-(beta-carboxypropionyl)-11-deoxo-olean-12-en-30-oic acid ethyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-3-O-(beta-carboxypropionyl)-11-oxo-olean-12-en-30-oic acid ethyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-3-O-acetyl-11-oxo-olean-12-en-30-oic acid | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-3-O-acetyl-11-oxo-olean-12-en-30-oic acid-(20-dimethylamino)ethyl ester | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-3-oxo-11-deoxo-olean-12-en-30-oic acid | - |
Homo sapiens | |
| 3.1.1.1 | 18beta-glycyrrhetinic acid | - |
Homo sapiens | |
| 3.1.1.1 | 3-O-acetyl-11-oxo-olean-12-en-30-nitrile | - |
Homo sapiens | |
| 3.1.1.1 | 8beta-11-oxo-olean-12-en-30-amide | - |
Homo sapiens | |
| 3.1.1.1 | 8beta-3-O-acetyl-11-oxo-olean-12-en-30-amide | - |
Homo sapiens | |
| 3.1.1.1 | bavachinin | - |
Homo sapiens | |
| 3.1.1.1 | bis-4-nitrophenyl phosphate | - |
Homo sapiens | |
| 3.1.1.1 | additional information | design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterases, molecular docking, overview; design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterases, molecular docking, overview | Homo sapiens |
Localization
| EC Number | Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|---|
| 3.1.1.1 | microsome | - |
Homo sapiens | - |
- |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.1.1.1 | Homo sapiens | O00748 | - |
- |
| 3.1.1.1 | Homo sapiens | P23141 | - |
- |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 3.1.1.1 | intestine | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.1 | fluorescein diacetate + H2O | - |
Homo sapiens | ? | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 3.1.1.1 | HCE1 | - |
Homo sapiens |
| 3.1.1.1 | HCE2 | - |
Homo sapiens |
| 3.1.1.1 | human carboxylesterase 1 | - |
Homo sapiens |
| 3.1.1.1 | human carboxylesterase 2 | - |
Homo sapiens |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.1 | 37 | - |
assay at | Homo sapiens |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.1 | 7.4 | - |
assay at | Homo sapiens |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.1 | 0.00002 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-(beta-carboxypropionyl)-11-deoxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.00014 | - |
pH 7.4, 37°C | Homo sapiens | bis-4-nitrophenyl phosphate | |
| 3.1.1.1 | 0.00066 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-(beta-carboxypropionyl)-11-oxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.00342 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-acetyl-11-oxo-olean-12-en-30-oic acid-(20-dimethylamino)ethyl ester | |
| 3.1.1.1 | 0.00347 | - |
pH 7.4, 37°C | Homo sapiens | bavachinin | |
| 3.1.1.1 | 0.00395 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-oxo-olean-12-en-30-oic acid-(20-dimethylamino)ethyl ester | |
| 3.1.1.1 | 0.00399 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-deoxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.00431 | - |
pH 7.4, 37°C | Homo sapiens | bavachinin | |
| 3.1.1.1 | 0.00561 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-oxo-olean-12-en-30-oic acid methyl ester | |
| 3.1.1.1 | 0.0057 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-oxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.00611 | - |
pH 7.4, 37°C | Homo sapiens | bis-4-nitrophenyl phosphate | |
| 3.1.1.1 | 0.00695 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-deoxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.00699 | - |
pH 7.4, 37°C | Homo sapiens | 8beta-11-oxo-olean-12-en-30-amide | |
| 3.1.1.1 | 0.00736 | - |
pH 7.4, 37°C | Homo sapiens | 8beta-3-O-acetyl-11-oxo-olean-12-en-30-amide | |
| 3.1.1.1 | 0.00913 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-oxo-olean-12-en-30-oic acid-(20-dimethylamino)ethyl ester | |
| 3.1.1.1 | 0.01053 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-deoxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.01097 | - |
pH 7.4, 37°C | Homo sapiens | 8beta-3-O-acetyl-11-oxo-olean-12-en-30-amide | |
| 3.1.1.1 | 0.01231 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-acetyl-11-oxo-olean-12-en-30-oic acid-(20-dimethylamino)ethyl ester | |
| 3.1.1.1 | 0.01421 | - |
pH 7.4, 37°C | Homo sapiens | 8beta-11-oxo-olean-12-en-30-amide | |
| 3.1.1.1 | 0.02041 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-(beta-carboxypropionyl)-11-deoxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.02075 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-oxo-11-deoxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.02097 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-glycyrrhetinic acid | |
| 3.1.1.1 | 0.02236 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-oxo-olean-12-en-30-oic acid methyl ester | |
| 3.1.1.1 | 0.02361 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-oxo-11-deoxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.02509 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-deoxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.02626 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-11-oxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.04051 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-acetyl-11-oxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.04986 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-acetyl-11-oxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.06926 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-glycyrrhetinic acid | |
| 3.1.1.1 | 0.1 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3, 11-dioxo-olean-12-en-30-oic acid | |
| 3.1.1.1 | 0.1 | - |
pH 7.4, 37°C | Homo sapiens | 18beta-3-O-(beta-carboxypropionyl)-11-oxo-olean-12-en-30-oic acid ethyl ester | |
| 3.1.1.1 | 0.1 | - |
pH 7.4, 37°C | Homo sapiens | 3-O-acetyl-11-oxo-olean-12-en-30-nitrile | |
General Information
| EC Number | General Information | Comment | Organism |
|---|---|---|---|
| 3.1.1.1 | physiological function | human carboxylesterase 2 (hCE2) plays important roles in the oral bioavailability and treatment outcomes of ester- or amide-containing drugs or prodrugs, such as anticancer agents CPT-11 (irinotecan) and LY2334737 (gemcitabine) | Homo sapiens |
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