Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50227159
Substrate
n/a
Meas. Tech.
ChEMBL_461473 (CHEMBL927484)
IC50
58±n/a nM
Citation
Hu, B; Quinet, E; Unwalla, R; Collini, M; Jetter, J; Dooley, R; Andraka, D; Nogle, L; Savio, D; Halpern, A; Goos-Nilsson, A; Wilhelmsson, A; Nambi, P; Wrobel, J Carboxylic acid based quinolines as liver X receptor modulators that have LXRbeta receptor binding selectivity. Bioorg Med Chem Lett 18:54-9 (2008) [PubMed] Article
More Info.:
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:
BDBM50227159
Synonyms:
2-(4-(3-(3-benzyl-8-(trifluoromethyl)quinolin-4-yl)benzylamino)-2,3-dimethylphenyl)acetic acid | CHEMBL253521
Type:
Small organic molecule
Emp. Form.:
C34H29F3N2O2
Mol. Mass.:
554.6015
SMILES:
Cc1c(C)c(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)ccc1CC(O)=O