Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM50410188
Substrate
n/a
Meas. Tech.
ChEMBL_302692 (CHEMBL839565)
Ki
>2250±n/a nM
Citation
 von Geldern, TW; Tu, N; Kym, PR; Link, JT; Jae, HS; Lai, C; Apelqvist, T; Rhonnstad, P; Hagberg, L; Koehler, K; Grynfarb, M; Goos-Nilsson, A; Sandberg, J; Osterlund, M; Barkhem, T; Höglund, M; Wang, J; Fung, S; Wilcox, D; Nguyen, P; Jakob, C; Hutchins, C; Färnegårdh, M; Kauppi, B; Ohman, L; Jacobson, PB Liver-selective glucocorticoid antagonists: a novel treatment for type 2 diabetes. J Med Chem 47:4213-30 (2004) [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:
BDBM50410188
Synonyms:
CHEMBL2096708
Type:
Small organic molecule
Emp. Form.:
C55H77NO8
Mol. Mass.:
880.2018
SMILES:
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
Structure:
Search PDB for entries with ligand similarity: