Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM50063750
Substrate
n/a
Meas. Tech.
ChEMBL_1463692 (CHEMBL3399151)
Ki
1.1±n/a nM
Citation
 Burkholder, TP; Cunningham, BE; Clayton, JR; Lander, PA; Brown, ML; Doti, RA; Durst, GL; Montrose-Rafizadeh, C; King, C; Osborne, HE; Amos, RM; Zink, RW; Stramm, LE; Burris, TP; Cardona, G; Konkol, DL; Reidy, C; Christe, ME; Genin, MJ Design and synthesis of a novel series of [1-(4-hydroxy-benzyl)-1H-indol-5-yloxy]-acetic acid compounds as potent, selective, thyroid hormone receptorß agonists. Bioorg Med Chem Lett 25:1377-80 (2015) [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:
BDBM50063750
Synonyms:
CHEMBL3397345
Type:
Small organic molecule
Emp. Form.:
C25H29NO4
Mol. Mass.:
407.5021
SMILES:
Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12
Structure:
Search PDB for entries with ligand similarity: