Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM322135
Substrate
n/a
Meas. Tech.
TR-FRET Farnesoid X Receptor Coactivator Assay
EC50
35.0±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:
BDBM322135
Synonyms:
US10183917, Example 15
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2NO5
Mol. Mass.:
522.376
SMILES:
OC(=O)c1ccc2Oc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3CCc2c1 |(-8.85,-4.33,;-8.51,-2.83,;-9.63,-1.78,;-7.03,-2.38,;-6.69,-.88,;-5.22,-.42,;-4.09,-1.47,;-2.7,-.8,;-1.32,-1.47,;-.19,-.42,;1.28,-.88,;2.41,.17,;3.89,-.28,;5.01,.76,;4.54,2.23,;5.78,3.13,;7.03,2.23,;6.55,.76,;7.32,-.57,;8.86,-.57,;9.63,.76,;9.63,-1.9,;8.86,-3.24,;7.32,-3.24,;6.55,-1.9,;5.01,-1.9,;3.2,3,;2.43,4.33,;1.66,3,;1.63,-2.38,;.5,-3.43,;-.97,-2.97,;-1.93,-4.18,;-3.47,-4.18,;-4.43,-2.97,;-5.9,-3.43,)|
Structure:
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