Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50258586
Substrate
n/a
Meas. Tech.
ChEMBL_500794 (CHEMBL974375)
EC50
93±n/a nM
Citation
 Bass, JY; Caldwell, RD; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Madauss, KP; Marr, HB; McFadyen, RB; Miller, AB; Parks, DJ; Todd, D; Williams, SP; Wisely, GB Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064. Bioorg Med Chem Lett 19:2969-73 (2009) [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:
BDBM50258586
Synonyms:
(R)-3-(4-((5-sec-butyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-chlorostyryl)benzoic acid | CHEMBL466831
Type:
Small organic molecule
Emp. Form.:
C29H24Cl3NO4
Mol. Mass.:
556.864
SMILES:
CC[C@@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |r,wD:2.2,(33.96,-41.84,;32.5,-42.33,;32.19,-43.84,;30.73,-44.33,;33.35,-44.86,;34.85,-44.53,;35.63,-45.86,;34.6,-47.01,;33.2,-46.39,;31.87,-47.16,;30.54,-46.4,;29.21,-47.18,;27.86,-46.41,;26.54,-47.19,;26.55,-48.72,;25.22,-49.5,;23.88,-48.73,;22.55,-49.51,;22.55,-51.06,;21.22,-51.83,;19.88,-51.06,;19.89,-49.51,;21.21,-48.74,;18.55,-48.75,;18.55,-47.21,;17.21,-49.52,;27.88,-49.49,;27.88,-51.03,;29.21,-48.72,;34.93,-48.51,;33.78,-49.54,;32.32,-49.07,;34.1,-51.04,;35.57,-51.52,;36.72,-50.48,;36.39,-48.98,;37.53,-47.94,)|
Structure:
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