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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tryptophan 2,3-dioxygenase | ||
| Ligand | BDBM50549537 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2025274 (CHEMBL4679087) | ||
| IC50 | 26400±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: |
| ||
| BDBM50549537 | |||
| n/a | |||
| Name | BDBM50549537 | ||
| Synonyms: | CHEMBL4761104 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H24ClF3N2O2 | ||
| Mol. Mass. | 452.897 | ||
| SMILES | [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](CC)C(=O)Nc1ccc(Cl)cn1 |r,wU:4.4,19.22,wD:1.0,(11.99,-3.45,;11.89,-5.07,;13.22,-4.29,;14.57,-5.06,;14.56,-6.6,;15.85,-5.77,;17.05,-6.74,;16.49,-8.17,;17.18,-9.53,;16.35,-10.81,;14.81,-10.73,;14.12,-9.36,;14.96,-8.08,;17.05,-12.18,;18.38,-11.4,;18.39,-12.94,;16.21,-13.48,;13.22,-7.38,;11.89,-6.61,;10.55,-4.3,;10.54,-2.76,;11.87,-1.99,;9.21,-5.08,;9.21,-6.62,;7.86,-4.31,;6.53,-5.09,;5.18,-4.32,;3.84,-5.09,;3.84,-6.65,;2.5,-7.42,;5.19,-7.42,;6.53,-6.65,)| | ||
| Structure | 
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