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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Thyroid hormone receptor beta | ||
| Ligand | BDBM50547832 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2019091 (CHEMBL4672669) | ||
| IC50 | 8.0±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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| BDBM50547832 | |||
| n/a | |||
| Name | BDBM50547832 | ||
| Synonyms: | CHEMBL4793547 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H27ClN4O5 | ||
| Mol. Mass. | 486.948 | ||
| SMILES | COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(46.57,-2.43,;45.24,-3.2,;45.25,-4.74,;43.92,-5.51,;43.92,-7.06,;45.25,-7.83,;46.59,-7.06,;48.07,-7.53,;48.97,-6.27,;50.51,-6.26,;51.29,-7.59,;50.53,-8.93,;48.99,-8.93,;48.23,-10.27,;46.69,-10.28,;49.01,-11.6,;50.56,-11.59,;51.31,-10.25,;48.05,-5.02,;46.58,-5.51,;42.58,-7.83,;42.58,-9.37,;41.25,-7.06,;41.25,-5.52,;39.92,-4.74,;39.93,-3.2,;38.58,-5.51,;38.58,-7.05,;39.91,-7.83,;39.91,-9.36,;38.82,-10.45,;39.91,-11.54,;39.91,-13.08,;41,-10.45,)| | ||
| Structure | 
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