Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM50294901
Substrate
n/a
Meas. Tech.
ChEMBL_577226 (CHEMBL1034533)
IC50
1700±n/a nM
Citation
 Hwang, JY; Arnold, LA; Zhu, F; Kosinski, A; Mangano, TJ; Setola, V; Roth, BL; Guy, RK Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem 52:3892-901 (2009) [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:
Homo sapiens (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:
BDBM50294901
Synonyms:
1-(2,5-Dichloro-4-(hexylsulfonyl)phenyl)-3-(2-methylaziridin-1-yl)propan-1-one | CHEMBL572341
Type:
Small organic molecule
Emp. Form.:
C18H25Cl2NO3S
Mol. Mass.:
406.367
SMILES:
CCCCCCS(=O)(=O)c1cc(Cl)c(cc1Cl)C(=O)CCN1CC1C
Structure:
Search PDB for entries with ligand similarity: