Reaction Details Report a problem with these data
Target
Thyroid hormone receptor alpha
Ligand
BDBM50171802
Substrate
n/a
Meas. Tech.
ChEMBL_321327 (CHEMBL880611)
IC50
14±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:
BDBM50171802
Synonyms:
CHEMBL196642 | N-[3,5-Dichloro-4-(5-isopropyl-6-methoxy-naphthalen-1-yl)-phenyl]-malonamic acid
Type:
Small organic molecule
Emp. Form.:
C23H21Cl2NO4
Mol. Mass.:
446.323
SMILES:
COc1ccc2c(cccc2c1C(C)C)-c1c(Cl)cc(NC(=O)CC(O)=O)cc1Cl |(1.71,1.66,;1.71,.12,;3.04,-.65,;4.37,.13,;5.72,-.64,;5.72,-2.19,;7.05,-2.96,;7.05,-4.49,;5.7,-5.27,;4.37,-4.5,;4.37,-2.96,;3.04,-2.19,;1.71,-2.96,;.38,-2.19,;1.71,-4.5,;8.38,-2.18,;9.71,-2.95,;9.71,-4.49,;11.04,-2.18,;11.04,-.64,;12.37,.14,;13.7,-.63,;15.05,.16,;13.72,-2.17,;15.06,-2.92,;15.06,-4.46,;16.39,-2.15,;9.71,.13,;8.38,-.64,;7.05,.13,)|
Structure:
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