Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM303496
Substrate
n/a
Meas. Tech.
Human FXR (NR1H4) Assay
EC50
550±n/a nM
Citation
 Or, YS; He, Y; Shen, R; Xing, X; Granger, B; Wang, B; Ma, J; He, J; Long, J; Wang, G Isoxazole derivatives as FXR agonists and methods of use therof US Patent  US10138228 Publication Date 11/27/2018 
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:
BDBM303496
Synonyms:
US10138228, Example 1
Type:
Small organic molecule
Emp. Form.:
C31H27Cl2F3N4O5S
Mol. Mass.:
695.536
SMILES:
CN(Cc1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(2.72,-21.3,;2.72,-19.76,;4.06,-18.99,;5.39,-19.76,;5.39,-21.3,;6.72,-22.07,;8.06,-21.3,;8.06,-19.76,;6.72,-18.99,;9.39,-22.07,;9.39,-23.61,;10.72,-21.3,;12.06,-22.07,;11.29,-23.41,;12.83,-23.41,;13.39,-21.3,;14.93,-21.3,;14.16,-19.97,;1.39,-18.99,;1.39,-17.45,;.05,-16.68,;-1.28,-17.45,;-2.61,-16.68,;-3.95,-17.45,;-5.28,-16.68,;-5.28,-15.14,;-6.75,-14.67,;-7.65,-15.91,;-6.75,-17.16,;-7.14,-18.65,;-8.63,-19.05,;-9.72,-17.96,;-9.03,-20.53,;-7.94,-21.62,;-6.45,-21.22,;-6.05,-19.74,;-4.57,-19.34,;-3.95,-14.37,;-2.41,-14.37,;-3.18,-13.04,;-1.28,-18.99,;.05,-19.82,;.05,-21.36,;.05,-22.9,;1.59,-21.36,;-1.49,-21.36,)|
Structure:
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