Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM322149
Substrate
n/a
Meas. Tech.
TR-FRET Farnesoid X Receptor Coactivator Assay
EC50
54.0±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:
BDBM322149
Synonyms:
US10183917, Example 32
Type:
Small organic molecule
Emp. Form.:
C27H22Cl2N2O5S
Mol. Mass.:
557.445
SMILES:
CS(=O)(=O)c1ccc2CCc3nc(OCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)ccc3Oc2c1 |(-9.24,2.79,;-8.15,1.71,;-7.06,2.79,;-9.24,.62,;-7.06,.62,;-7.4,-.89,;-6.27,-1.93,;-4.8,-1.48,;-3.84,-2.68,;-2.3,-2.68,;-1.34,-1.48,;.13,-1.93,;1.26,-.89,;2.75,-1.28,;3.84,-.19,;5.32,-.59,;6.57,.31,;7.82,-.59,;7.34,-2.06,;5.8,-2.06,;5.03,-3.39,;3.7,-4.16,;5.03,-4.93,;6.57,1.85,;5.24,2.62,;3.9,1.85,;5.24,4.16,;6.57,4.93,;7.9,4.16,;7.9,2.62,;9.24,1.85,;.92,.62,;-.55,1.07,;-1.68,.02,;-3.07,.69,;-4.46,.02,;-5.59,1.07,)|
Structure:
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