Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM20171
Substrate
biotinylated SRC-1 peptide
Meas. Tech.
Cell-Free Ligand Sensing Assay (LiSA)-LXRalpha-SRC1 Assay
pH
7.5±n/a
Temperature
295.15±n/a K
EC50
85±20 nM
Comments
The relative efficacy (RE) compared to 24(S),25-epoxycholesterol is 0.7 in LXRalpha-SRC1 assay. The EC50=650 +/- 300 nM for LXRalpha-GAL4 gene expression with RE=0.3.
Citation
 Collins, JL; Fivush, AM; Watson, MA; Galardi, CM; Lewis, MC; Moore, LB; Parks, DJ; Wilson, JG; Tippin, TK; Binz, JG; Plunket, KD; Morgan, DG; Beaudet, EJ; Whitney, KD; Kliewer, SA; Willson, TM Identification of a nonsteroidal liver X receptor agonist through parallel array synthesis of tertiary amines. J Med Chem 45:1963-6 (2002) [PubMed]  Article 
Target
Name:
Oxysterols receptor LXR-alpha
Synonyms:
LXRA | Liver X Receptor alpha (LXR-alpha) | Liver X receptor alpha | Liver X receptor alpha (LXRA) | Liver X receptor alpha (NR1H3) | Liver X, LXR alpha | NR1H3 | NR1H3_HUMAN | Nuclear orphan receptor LXR-alpha | Nuclear receptor subfamily 1 group H member 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50403.85
Organism:
Homo sapiens (Human)
Description:
Q13133
Residue:
447
Sequence:
MSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSAGGTAGVGLEAAEPTALLTRAEPPSEPTEIRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKGFFRRSVIKGAHYICHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLKRQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPMAPDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM20171
Synonyms:
2-(3-{3-[(2,2-diphenylethyl)({[3-(trifluoromethyl)phenyl]methyl})amino]propoxy}phenyl)acetamide | Tertiary amine, 9
Type:
Small organic molecule
Emp. Form.:
C33H33F3N2O2
Mol. Mass.:
546.6225
SMILES:
NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2)C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
biotinylated SRC-1 peptide
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3157.52
Organism:
n/a
Description:
A biotinylated peptide comprises amino acids 675-699 of steroid receptor coactivator 1 (SRC1).
Residue:
28
Sequence:
CPSSHSSLTERHKILHRLLQEGSPSCNH