Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM50605655
Substrate
n/a
Meas. Tech.
ChEMBL_2252578 (CHEMBL5166788)
EC50
6.9±n/a nM
Citation
 Li, Q; Yao, B; Zhao, S; Lu, Z; Zhang, Y; Xiang, Q; Wu, X; Yu, H; Zhang, C; Li, J; Zhuang, X; Wu, D; Li, Y; Xu, Y Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor ? Agonist. J Med Chem 65:7193-7211 (2022) [PubMed] 
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:
BDBM50605655
Synonyms:
CHEMBL5207186
Type:
Small organic molecule
Emp. Form.:
C27H22N2O7
Mol. Mass.:
486.4728
SMILES:
CCOc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(cc3)C(=O)c3ccccc3)cc12
Structure:
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