Reaction Details Report a problem with these data
Target
Thyroid hormone receptor beta
Ligand
BDBM50171803
Substrate
n/a
Meas. Tech.
ChEMBL_321321 (CHEMBL882591)
IC50
1.8±n/a nM
Citation
 Hangeland, JJ; Friends, TJ; Doweyko, AM; Mellström, K; Sandberg, J; Grynfarb, M; Ryono, DE A new class of high affinity thyromimetics containing a phenyl-naphthylene core. Bioorg Med Chem Lett 15:4579-84 (2005) [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:
BDBM50171803
Synonyms:
3-[4-(5-Bromo-6-hydroxy-naphthalen-1-yl)-3,5-dichloro-phenylamino]-propionic acid | CHEMBL198875
Type:
Small organic molecule
Emp. Form.:
C19H14BrCl2NO3
Mol. Mass.:
455.129
SMILES:
OC(=O)CCNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.88,-5.86,;13.87,-4.32,;15.2,-3.55,;12.54,-3.57,;12.53,-2.03,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)|
Structure:
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