Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323544
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
189±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:
BDBM50323544
Synonyms:
4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)ethoxy)benzoic acid | CHEMBL1209365
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2F3N2O5
Mol. Mass.:
593.378
SMILES:
CC(Oc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(19.89,-47.58,;19.89,-46.04,;18.55,-45.27,;17.22,-46.05,;17.23,-47.6,;15.89,-48.37,;14.56,-47.6,;14.56,-46.05,;15.89,-45.28,;13.22,-48.37,;11.89,-47.59,;13.22,-49.91,;21.22,-45.26,;21.21,-43.73,;22.53,-42.95,;23.88,-43.72,;25.22,-42.94,;26.55,-43.71,;27.88,-42.94,;28.35,-41.47,;29.9,-41.47,;30.38,-42.93,;29.13,-43.85,;29.14,-45.38,;30.47,-46.14,;31.8,-45.36,;30.48,-47.67,;29.15,-48.46,;27.81,-47.69,;27.81,-46.15,;26.47,-45.39,;27.43,-40.23,;27.27,-38.7,;26.02,-39.61,;23.88,-45.26,;22.55,-46.03,;22.56,-47.57,;21.22,-48.34,;23.89,-48.34,;22.54,-49.11,)|
Structure:
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