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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Indoleamine 2,3-dioxygenase 1 | ||
| Ligand | BDBM50549538 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2025273 (CHEMBL4679086) | ||
| IC50 | 51±n/a nM | ||
| Citation |  Kinzel, O; Steeneck, C; Anderhub, S; Hornberger, M; Pinto, S; Morschhaeuser, B; Albers, M; Sonnek, C; Wang, Y; Mallinger, A; Czeka?ska, M; Hoffmann, T Discovery of highly potent heme-displacing IDO1 inhibitors based on a spirofused bicyclic scaffold. Bioorg Med Chem Lett33:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Indoleamine 2,3-dioxygenase 1 | |||
| Name: | Indoleamine 2,3-dioxygenase 1 | ||
| Synonyms: | I23O1_HUMAN | IDO | IDO-1 | IDO1 | INDO | Indoleamine 2,3-Dioxygenasae (IDO) | Indoleamine 2,3-dioxygenase | Indoleamine-pyrrole 2,3-dioxygenase | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 45330.80 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P14902 | ||
| Residue: | 403 | ||
| Sequence: |
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| BDBM50549538 | |||
| n/a | |||
| Name | BDBM50549538 | ||
| Synonyms: | CHEMBL4741630 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H23ClF3NO2 | ||
| Mol. Mass. | 437.882 | ||
| SMILES | [H][C@@]1(CC[C@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,1.0,(11.03,-49.44,;10.98,-50.89,;10.98,-52.43,;12.31,-53.2,;13.65,-52.42,;14.94,-51.58,;16.13,-52.55,;15.58,-53.98,;16.27,-55.34,;15.44,-56.62,;13.9,-56.54,;13.21,-55.17,;14.05,-53.9,;16.13,-57.99,;17.46,-57.21,;17.47,-58.75,;15.3,-59.28,;13.65,-50.88,;12.31,-50.11,;9.64,-50.12,;9.63,-48.58,;8.3,-50.9,;8.3,-52.44,;6.96,-50.13,;5.62,-50.91,;5.62,-52.46,;4.29,-53.24,;2.95,-52.46,;1.61,-53.24,;2.95,-50.91,;4.28,-50.14,)| | ||
| Structure | 
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