Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tryptophan 2,3-dioxygenase | ||
| Ligand | BDBM50549544 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2025274 (CHEMBL4679087) | ||
| IC50 | 7100±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 | ||
| Tryptophan 2,3-dioxygenase | |||
| Name: | Tryptophan 2,3-dioxygenase | ||
| Synonyms: | T23O_HUMAN | TDO | TDO2 | TO | TRPO | Tryptamin 2,3-dioxygenase | Tryptophan oxygenase | Tryptophan pyrrolase | Tryptophanase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 47874.48 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_825691 | ||
| Residue: | 406 | ||
| Sequence: |
| ||
| BDBM50549544 | |||
| n/a | |||
| Name | BDBM50549544 | ||
| Synonyms: | CHEMBL4764360 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H26ClF3N2O | ||
| Mol. Mass. | 450.924 | ||
| SMILES | CC(C1CCC2(CC1)N(C)Cc1cc(ccc21)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 |(10.52,-19.22,;10.52,-20.76,;11.87,-21.52,;11.87,-23.06,;13.19,-23.84,;14.53,-23.06,;14.53,-21.51,;13.19,-20.74,;15.82,-22.22,;15.9,-20.69,;17.01,-23.19,;16.46,-24.62,;17.15,-25.98,;16.32,-27.26,;14.78,-27.18,;14.09,-25.81,;14.93,-24.53,;17.01,-28.62,;18.34,-27.85,;18.35,-29.38,;16.18,-29.92,;9.19,-21.53,;9.19,-23.08,;7.84,-20.77,;6.51,-21.54,;6.51,-23.1,;5.17,-23.88,;3.83,-23.1,;2.49,-23.87,;3.83,-21.55,;5.17,-20.78,)| | ||
| Structure | 
| ||