Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM18941
Substrate
BDBM18860
Meas. Tech.
TRalpha-Binding Assay.
IC50
9.5±n/a nM
Citation
Hangeland, JJ; Doweyko, AM; Dejneka, T; Friends, TJ; Devasthale, P; Mellström, K; Sandberg, J; Grynfarb, M; Sack, JS; Einspahr, H; Färnegård, M; Husman, B; Ljunggren, J; Koehler, K; Sheppard, C; Malm, J; Ryono, DE Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta. Bioorg Med Chem Lett 14:3549-53 (2004) [PubMed] Article
More Info.:
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:
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:
BDBM18941
Synonyms:
2-(3,5-dibromo-4-{4-hydroxy-3-[4-(trifluoromethyl)phenoxy]phenoxy}phenyl)acetic acid | 4-hydroxy thyromimetic, 13d
Type:
Small organic molecule
Emp. Form.:
C21H13Br2F3O5
Mol. Mass.:
562.128
SMILES:
OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccc(cc3)C(F)(F)F)c2)c(Br)c1
Substrate
Name:
BDBM18860
Synonyms:
(2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid | (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid | 3,5,3'-triiodo-L-thyronine (T3) | CHEMBL1544 | Triiodothyronine | Triiodothyronine (T3) | US10544075, Compound T3 | [125I]T3 | liothyronine | triothyrone
Type:
Hormone
Emp. Form.:
C15H12I3NO4
Mol. Mass.:
650.9735
SMILES:
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|