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Literature summary for 1.13.11.52 extracted from
- Discovery of 5-(pyridin-3-yl)-1H-indole-4,7-diones as indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors (2020), Bioorg. Med. Chem. Lett., 30, 126901 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 3-(2-aminoethyl)-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 74.88% inhibition | Homo sapiens | |
| 3-[2-(cyclohexylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 64.95% inhibition | Homo sapiens | |
| 3-[2-(diethylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 64.21% inhibition | Homo sapiens | |
| 3-[2-(dimethylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 71.26% inhibition | Homo sapiens | |
| 3-[2-(ethylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 81.67% inhibition | Homo sapiens | |
| 3-[2-(propylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 79.17% inhibition | Homo sapiens | |
| 3-[2-(tert-butylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 79.45% inhibition | Homo sapiens | |
| 3-[2-[(2-phenylethyl)amino]ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 68.26% inhibition | Homo sapiens | |
| 3-[2-[(propan-2-yl)amino]ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | 0.01 mM, 63.75% inhibition | Homo sapiens | |
| INCB024360 | 0.01 mM, 97.59% inhibition | Homo sapiens | |
| N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]-2,2-dimethylpropanamide | 0.01 mM, 72.35% inhibition | Homo sapiens | |
| N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]acetamide | 0.01 mM, 57.47% inhibition | Homo sapiens | |
| N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]benzamide | 0.01 mM, 65.72% inhibition | Homo sapiens | |
| N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]benzenesulfonamide | 0.01 mM, 59.71% inhibition | Homo sapiens | |
| tert-butyl [2-(4,7-dioxo-5-phenyl-4,7-dihydro-1H-indol-3-yl)ethyl]carbamate | 0.01 mM, 56.38% inhibition | Homo sapiens | |
| tert-butyl [2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 66.51% inhibition | Homo sapiens | |
| tert-butyl [2-[4,7-dioxo-5-(pyridin-4-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 12.42% inhibition | Homo sapiens | |
| tert-butyl [2-[5-(2-fluorophenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 67.30% inhibition | Homo sapiens | |
| tert-butyl [2-[5-(2-methoxyphenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 63.23% inhibition | Homo sapiens | |
| tert-butyl [2-[5-(4-fluorophenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 43.34% inhibition | Homo sapiens | |
| tert-butyl [2-[5-(4-methoxyphenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 34.45% inhibition | Homo sapiens | |
| tert-butyl [2-[5-(4-methylphenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | 0.01 mM, 25.52% inhibition | Homo sapiens |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-tryptophan + O2 | Homo sapiens | - |
N-formyl-L-kynurenine | - |
? |  |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P14902 | - |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| HeLa cell | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-tryptophan + O2 | - |
Homo sapiens | N-formyl-L-kynurenine | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| IDO1 | - |
Homo sapiens |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.000097 | - |
pH and temperature not specified in the publication | Homo sapiens | INCB024360 | |
| 0.00016 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-(ethylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.0005 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-(dimethylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.00051 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-(2-aminoethyl)-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.00051 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-[(propan-2-yl)amino]ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.00056 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-(tert-butylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.00077 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]-2,2-dimethylpropanamide | |
| 0.00088 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-(propylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.00136 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]acetamide | |
| 0.0015 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-(cyclohexylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.0019 | - |
pH and temperature not specified in the publication | Homo sapiens | tert-butyl [2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | |
| 0.00208 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]benzamide | |
| 0.00209 | - |
pH and temperature not specified in the publication | Homo sapiens | tert-butyl [2-[5-(2-fluorophenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | |
| 0.00226 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-(diethylamino)ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione | |
| 0.00238 | - |
pH and temperature not specified in the publication | Homo sapiens | tert-butyl [2-[5-(2-methoxyphenyl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl]carbamate | |
| 0.00294 | - |
pH and temperature not specified in the publication | Homo sapiens | tert-butyl [2-(4,7-dioxo-5-phenyl-4,7-dihydro-1H-indol-3-yl)ethyl]carbamate | |
| 0.00351 | - |
pH and temperature not specified in the publication | Homo sapiens | N-[2-[4,7-dioxo-5-(pyridin-3-yl)-4,7-dihydro-1H-indol-3-yl]ethyl]benzenesulfonamide | |
| 0.004 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[2-[(2-phenylethyl)amino]ethyl]-5-(pyridin-3-yl)-1H-indole-4,7-dione |
General Information
| General Information | Comment | Organism |
|---|---|---|
| metabolism | overexpression of indoleamine 2,3-dioxygenase in tumor microenvironment results in tumor immune escape | Homo sapiens |
| physiological function | in the tryptophan-nicotinamide pathway, indoleamine 2,3-dioxygenase 1 (IDO1) participates in the first step and catalyzes the formation of N-formylkynurnine by promoting the oxidative cleavage of indole 2,3-double bonds | Homo sapiens |
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