Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM322150
Substrate
n/a
Meas. Tech.
TR-FRET Farnesoid X Receptor Coactivator Assay
EC50
56.0±n/a nM
Citation
 Wang, X; Yang, X; Pan, S; Guo, R; Wu, J; Zhang, Y; Cheng, C Tricyclic compounds and uses thereof in medicine US Patent  US10183917 Publication Date 1/22/2019 
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:
BDBM322150
Synonyms:
US10183917, Example 11
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2NO6S
Mol. Mass.:
570.44
SMILES:
OC(=O)c1ccc2CCc3cc(OCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)ccc3S(=O)(=O)c2c1 |(-9.45,1.36,;-7.98,1.82,;-7.64,3.32,;-6.85,.77,;-7.19,-.73,;-6.07,-1.78,;-4.59,-1.33,;-3.63,-2.53,;-2.09,-2.53,;-1.13,-1.33,;.34,-1.78,;1.47,-.73,;2.94,-1.19,;4.07,-.14,;5.54,-.59,;6.78,.31,;8.03,-.59,;7.55,-2.06,;6.01,-2.06,;5.24,-3.39,;3.91,-4.16,;5.24,-4.93,;6.78,1.85,;5.45,2.62,;4.12,1.85,;5.45,4.16,;6.78,4.93,;8.12,4.16,;8.12,2.62,;9.45,1.85,;1.12,.77,;-.35,1.22,;-1.48,.17,;-2.86,.84,;-3.63,2.18,;-2.09,2.18,;-4.25,.17,;-5.38,1.22,)|
Structure:
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