Reaction Details  Report a problem with these data
Target
Thyroid hormone receptor alpha
Ligand
BDBM18952
Substrate
n/a
Meas. Tech.
ChEMBL_459042 (CHEMBL925134)
IC50
93.33±n/a nM
Citation
 Valadares, NF; Castilho, MS; Polikarpov, I; Garratt, RC 2D QSAR studies on thyroid hormone receptor ligands. Bioorg Med Chem 15:4609-17 (2007) [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:
BDBM18952
Synonyms:
2-[3,5-dibromo-4-(4-hydroxy-3-{[2-(3-methoxyphenyl)ethyl]carbamoyl}phenoxy)phenyl]acetic acid | 4-hydroxy thyromimetic, 15g
Type:
Small organic molecule
Emp. Form.:
C24H21Br2NO6
Mol. Mass.:
579.235
SMILES:
COc1cccc(CCNC(=O)c2cc(Oc3c(Br)cc(CC(O)=O)cc3Br)ccc2O)c1
Structure:
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