Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM50547809
Substrate
n/a
Meas. Tech.
ChEMBL_2019091 (CHEMBL4672669)
IC50
300±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 Chem 63:12574-12594 (2020) [PubMed]  Article 
Target
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:
Human
Description:
Recombinant hThR was obtained from nuclear extracts from SF9 cells infected with baculovirus vectors encoding for ThRbeta 1.
Residue:
461
Sequence:
MTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLKNEQSSPHLIQTTWTSSIFHLDHDDVNDQSVSSAQTFQTEEKKCKGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIYVGMATDLVLDDSKRLAKRKLIEENREKRRREELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
  
Inhibitor
Name:
BDBM50547809
Synonyms:
CHEMBL4781058
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN3O4
Mol. Mass.:
447.887
SMILES:
COc1cc(cc2nc(NCc3cc(Cl)ccc3F)oc12)C(=O)N1CCC(O)C(C)C1
Structure:
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