Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM306715
Substrate
n/a
Meas. Tech.
Human FXR (NR1H4) Assay
EC50
<100±n/a nM
Citation
 Or, YS; Xing, X; Shen, R; Wang, B; Granger, B; Ma, J; He, J; Long, J; He, Y; Wang, G Isoxazole derivatives as FXR agonists and methods of use thereof US Patent  US10149835 Publication Date 12/11/2018 
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:
BDBM306715
Synonyms:
US10149835, Example 6
Type:
Small organic molecule
Emp. Form.:
C30H30Cl2FN3O5S
Mol. Mass.:
634.546
SMILES:
Fc1cc(ccc1N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |r,wU:11.12,TLB:6:7:10.9:14.12.13,THB:15:13:10.9:7,(2.85,-3.03,;3.62,-1.7,;5.16,-1.7,;5.93,-.37,;5.16,.97,;3.62,.97,;2.85,-.37,;1.31,-.37,;-.41,-.43,;-.4,-1.97,;-1.41,-3.13,;-1.47,-1.6,;-2.56,-.5,;-4.18,.36,;-1.54,.62,;-5.51,-.41,;-6.85,.36,;-8.18,-.41,;-8.18,-1.95,;-9.64,-2.43,;-10.55,-1.18,;-9.64,.06,;-10.04,1.55,;-11.53,1.95,;-12.62,.86,;-11.93,3.44,;-10.84,4.53,;-9.35,4.13,;-8.95,2.64,;-7.47,2.24,;-7.09,-3.04,;-6.69,-4.53,;-5.6,-3.44,;7.47,-.37,;8.24,.97,;8.56,-1.46,;10.04,-1.06,;10.04,.48,;11.38,-.29,;11.13,-2.15,;11.53,-3.63,;12.62,-2.54,)|
Structure:
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