Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323545
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
225±n/a nM
Citation
 Abel, U; Schlüter, T; Schulz, A; Hambruch, E; Steeneck, C; Hornberger, M; Hoffmann, T; Perovic-Ottstadt, S; Kinzel, O; Burnet, M; Deuschle, U; Kremoser, C Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. Bioorg Med Chem Lett 20:4911-7 (2010) [PubMed]  Article 
Target
Name:
Bile acid receptor
Synonyms:
BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Homo sapiens (Human)
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50323545
Synonyms:
3-(2,6-dichlorophenyl)-5-isopropyl-4-((6-methyl-4-(trifluoromethyl)pyridin-2-yloxy)methyl)isoxazole | CHEMBL1209061
Type:
Small organic molecule
Emp. Form.:
C20H17Cl2F3N2O2
Mol. Mass.:
445.262
SMILES:
CC(C)c1onc(c1COc1cc(cc(C)n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(15.46,-28.38,;14.84,-29.79,;13.31,-29.95,;15.75,-31.03,;17.3,-31.03,;17.78,-32.49,;16.53,-33.41,;15.28,-32.5,;13.95,-33.28,;12.61,-32.51,;11.28,-33.29,;9.94,-32.53,;8.62,-33.3,;8.61,-34.84,;9.95,-35.61,;9.95,-37.15,;11.28,-34.84,;7.28,-32.53,;7.28,-30.99,;5.95,-33.3,;5.94,-31.76,;16.54,-34.94,;17.87,-35.7,;19.2,-34.92,;17.88,-37.24,;16.55,-38.02,;15.21,-37.25,;15.21,-35.72,;13.87,-34.95,)|
Structure:
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