Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50258556
Substrate
n/a
Meas. Tech.
ChEMBL_500794 (CHEMBL974375)
EC50
240±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:
BDBM50258556
Synonyms:
3-(2-chloro-4-((5-cyclopentyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)styryl)benzoic acid | CHEMBL466867
Type:
Small organic molecule
Emp. Form.:
C30H24Cl3NO4
Mol. Mass.:
568.875
SMILES:
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(-6.07,-30.87,;-6.07,-32.41,;-7.4,-33.18,;-4.73,-33.18,;-4.73,-34.72,;-3.4,-35.5,;-2.06,-34.72,;-2.07,-33.17,;-.74,-32.4,;.6,-33.16,;1.93,-32.39,;1.92,-30.86,;3.24,-30.08,;4.59,-30.84,;5.92,-30.07,;7.26,-30.83,;8.59,-30.05,;9.99,-30.68,;11.01,-29.53,;10.23,-28.2,;8.73,-28.53,;7.57,-27.5,;7.72,-25.97,;6.31,-25.36,;5.29,-26.51,;6.07,-27.84,;10.31,-32.17,;9.16,-33.21,;7.7,-32.73,;9.49,-34.71,;10.95,-35.18,;12.1,-34.14,;11.77,-32.64,;12.91,-31.61,;4.59,-32.39,;3.26,-33.16,;3.27,-34.7,;-3.4,-32.41,)|
Structure:
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