Reaction Details Report a problem with these data
Target
Thyroid hormone receptor alpha
Ligand
BDBM50171806
Substrate
n/a
Meas. Tech.
ChEMBL_321327 (CHEMBL880611)
IC50
125±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:
BDBM50171806
Synonyms:
CHEMBL196613 | [3,5-Dichloro-4-(6-hydroxy-5-phenyl-naphthalen-1-yl)-phenyl]-carbamic acid
Type:
Small organic molecule
Emp. Form.:
C23H15Cl2NO3
Mol. Mass.:
424.276
SMILES:
OC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(c(O)ccc12)-c1ccccc1 |(12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,;.52,-3.25,;.54,-4.78,;-.79,-5.56,;-2.14,-4.79,;-2.14,-3.25,;-.79,-2.48,)|
Structure:
Search PDB for entries with ligand similarity: