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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Indoleamine 2,3-dioxygenase 1 | ||
| Ligand | BDBM50549548 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2025275 (CHEMBL4679088) | ||
| IC50 | 6.6±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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| BDBM50549548 | |||
| n/a | |||
| Name | BDBM50549548 | ||
| Synonyms: | CHEMBL4758026 | ||
| 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:4.4,1.0,wD:19.22,(30.51,-48.63,;30.52,-50.25,;30.52,-51.79,;31.84,-52.56,;33.18,-51.78,;34.47,-50.95,;35.66,-51.91,;35.11,-53.34,;35.79,-54.7,;34.96,-55.98,;33.43,-55.9,;32.74,-54.53,;33.58,-53.26,;35.66,-57.34,;36.99,-56.57,;37,-58.1,;34.83,-58.64,;33.18,-50.24,;31.84,-49.47,;29.18,-49.48,;29.17,-47.95,;27.84,-50.26,;27.84,-51.8,;26.5,-49.5,;25.17,-50.27,;25.17,-51.82,;23.83,-52.6,;22.49,-51.82,;21.15,-52.6,;22.49,-50.27,;23.83,-49.51,)| | ||
| Structure | 
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