Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323529
Substrate
n/a
Meas. Tech.
ChEMBL_644903 (CHEMBL1211233)
EC50
155±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:
BDBM50323529
Synonyms:
2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)phenoxy)ethanol | CHEMBL1209169
Type:
Small organic molecule
Emp. Form.:
C29H28Cl2F3N3O4
Mol. Mass.:
610.452
SMILES:
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.88,-16.84,;8.26,-18.25,;6.73,-18.41,;9.17,-19.49,;10.72,-19.49,;11.2,-20.95,;9.95,-21.87,;8.7,-20.96,;7.37,-21.73,;6.04,-20.96,;4.7,-21.74,;3.35,-20.97,;2.03,-21.75,;2.04,-23.28,;.71,-24.06,;.71,-25.6,;-.63,-23.29,;-1.96,-24.07,;-1.95,-25.62,;-3.29,-26.39,;-4.62,-25.62,;-5.96,-26.39,;-7.29,-25.61,;-8.63,-26.38,;-9.96,-25.61,;-4.62,-24.07,;-3.29,-23.3,;3.37,-24.05,;4.7,-23.28,;3.38,-25.59,;2.04,-26.36,;4.71,-26.36,;3.36,-27.13,;9.96,-23.4,;11.29,-24.16,;12.62,-23.38,;11.3,-25.69,;9.97,-26.48,;8.63,-25.71,;8.63,-24.17,;7.29,-23.41,)|
Structure:
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