Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM322139
Substrate
n/a
Meas. Tech.
TR-FRET Farnesoid X Receptor Coactivator Assay
EC50
6.00±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:
BDBM322139
Synonyms:
US10183917, Example 19
Type:
Small organic molecule
Emp. Form.:
C28H23Cl2N3O6S
Mol. Mass.:
600.47
SMILES:
CS(=O)(=O)NC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-10.58,3.46,;-9.45,2.41,;-8.4,3.54,;-10.5,1.28,;-8.32,1.36,;-6.85,1.82,;-6.51,3.32,;-5.72,.77,;-6.07,-.73,;-4.94,-1.78,;-3.47,-1.33,;-2.5,-2.53,;-.96,-2.53,;-0,-1.33,;1.47,-1.78,;2.6,-.73,;4.07,-1.19,;5.2,-.14,;6.67,-.59,;7.14,-2.06,;8.68,-2.06,;9.16,-.59,;7.91,.31,;7.91,1.85,;6.58,2.62,;5.25,1.85,;6.58,4.16,;7.91,4.93,;9.25,4.16,;9.25,2.62,;10.58,1.85,;6.37,-3.39,;5.04,-4.16,;6.37,-4.93,;2.25,.77,;.78,1.22,;-.35,.17,;-1.73,.84,;-3.12,.17,;-4.25,1.22,)|
Structure:
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