Reaction Details Report a problem with these data
Target
Thyroid hormone receptor alpha
Ligand
BDBM50171797
Substrate
n/a
Meas. Tech.
ChEMBL_321327 (CHEMBL880611)
IC50
101±n/a nM
Citation
 Hangeland, JJ; Friends, TJ; Doweyko, AM; Mellström, K; Sandberg, J; Grynfarb, M; Ryono, DE A new class of high affinity thyromimetics containing a phenyl-naphthylene core. Bioorg Med Chem Lett 15:4579-84 (2005) [PubMed]  Article 
Target
Name:
Thyroid hormone receptor alpha
Synonyms:
C-erbA-alpha | EAR-7 | EAR7 | ERBA1 | NR1A1 | Nuclear receptor subfamily 1 group A member 1 | THA_HUMAN | THRA | THRA1 | THRA2 | Thyroid Hormone Receptor (TR-alpha) | Thyroid hormone receptor | Thyroid hormone receptor alpha | Thyroid hormone receptor apha | c-erbA-1
Type:
Receptor
Mol. Mass.:
54818.00
Organism:
Homo sapiens (Human)
Description:
Recombinant hThR was obtained from nuclear extracts from SF9 cells infected with baculovirus vectors encoding for ThRalpha 1.
Residue:
490
Sequence:
MEQKPSKVECGSDPEENSARSPDGKRKRKNGQCSLKTSMSGYIPSYLDKDEQCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPTYSCKYDSCCVIDKITRNQCQLCRFKKCIAVGMAMDLVLDDSKRVAKRKLIEQNRERRRKEEMIRSLQQRPEPTPEEWDLIHIATEAHRSTNAQGSHWKQRRKFLPDDIGQSPIVSMPDGDKVDLEAFSEFTKIITPAITRVVDFAKKLPMFSELPCEDQIILLKGCCMEIMSLRAAVRYDPESDTLTLSGEMAVKREQLKNGGLGVVSDAIFELGKSLSAFNLDDTEVALLQAVLLMSTDRSGLLCVDKIEKSQEAYLLAFEHYVNHRKHNIPHFWPKLLMKEREVQSSILYKGAAAEGRPGGSLGVHPEGQQLLGMHVVQGPQVRQLEQQLGEAGSLQGPVLQHQSPKSPQQRLLELLHRSGILHARAVCGEDDSSEADSPSSSEEEPEVCEDLAGNAASP
  
Inhibitor
Name:
BDBM50171797
Synonyms:
CHEMBL195079 | [4-(5-Bromo-6-hydroxy-naphthalen-1-yl)-3,5-dichloro-phenyl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C18H11BrCl2O3
Mol. Mass.:
426.088
SMILES:
OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.87,-1.24,;12.53,-2.03,;12.54,-3.57,;11.2,-1.26,;9.85,-2.04,;9.87,-3.58,;8.52,-4.35,;8.52,-5.89,;7.19,-3.58,;7.19,-2.04,;5.86,-1.27,;8.52,-1.27,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)|
Structure:
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