Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM434771
Substrate
n/a
Meas. Tech.
Receptor Coactivator Assay
EC50
5.10±n/a nM
Citation
 Wang, X; Yang, X; Wu, J; Xiong, S; Pan, S; Cao, S; Zhang, Y Nitrogen-containing tricyclic compounds and uses thereof in medicine US Patent  US10562910 Publication Date 2/18/2020 
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:
BDBM434771
Synonyms:
US10562910, Example 2
Type:
Small organic molecule
Emp. Form.:
C26H18Cl2N2O6
Mol. Mass.:
525.337
SMILES:
OC(=O)c1ccc2OCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;2.77,1.59,;3.9,.54,;5.37,.99,;6.33,-.21,;7.87,-.21,;8.83,.99,;10.3,.54,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.95,.1,;17.21,-.78,;16.75,-2.26,;15.21,-2.28,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;15.93,1.64,;15.14,2.96,;16.68,2.99,;11.09,3.09,;9.62,3.54,;8.49,2.5,;7.1,3.16,;5.71,2.5,;4.58,3.54,)|
Structure:
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