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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Thyroid hormone receptor beta | ||
| Ligand | BDBM50547835 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2019091 (CHEMBL4672669) | ||
| IC50 | 9.4±n/a nM | ||
| Citation |  Hillisch, A; Gericke, KM; Allerheiligen, S; Roehrig, S; Schaefer, M; Tersteegen, A; Schulz, S; Lienau, P; Gnoth, M; Puetter, V; Hillig, RC; Heitmeier, S Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J Med Chem63:12574-12594 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Thyroid hormone receptor beta | |||
| Name: | Thyroid hormone receptor beta | ||
| Synonyms: | ERBA2 | NR1A2 | Nuclear receptor subfamily 1 group A member 2 | THB_HUMAN | THR1 | THRB | c-erbA-2 | c-erbA-beta | ||
| Type: | Receptor | ||
| Mol. Mass.: | 52793.62 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Recombinant hThR was obtained from nuclear extracts from SF9 cells infected with baculovirus vectors encoding for ThRbeta 1. | ||
| Residue: | 461 | ||
| Sequence: |
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| BDBM50547835 | |||
| n/a | |||
| Name | BDBM50547835 | ||
| Synonyms: | CHEMBL4793166 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H28ClN5O4 | ||
| Mol. Mass. | 485.963 | ||
| SMILES | COc1cc(cn2nc(NCc3cccc(Cl)c3)nc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(16.59,-6.65,;15.26,-7.42,;15.26,-8.96,;13.93,-9.73,;13.93,-11.27,;15.27,-12.04,;16.61,-11.27,;18.09,-11.74,;18.99,-10.48,;20.53,-10.48,;21.31,-11.8,;20.55,-13.14,;21.33,-14.46,;20.57,-15.8,;19.03,-15.82,;18.25,-14.49,;16.71,-14.49,;19.01,-13.15,;18.07,-9.24,;16.6,-9.72,;12.6,-12.04,;12.6,-13.58,;11.27,-11.27,;11.27,-9.73,;9.94,-8.96,;9.95,-7.42,;8.6,-9.72,;8.6,-11.27,;9.93,-12.05,;9.93,-13.59,;8.84,-14.67,;9.93,-15.76,;9.92,-17.3,;11.02,-14.67,)| | ||
| Structure | 
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