Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM461251
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
8.60±n/a nM
Citation
 Blomgren, PA; Currie, KS; Gege, C; Kropf, JE; Xu, J FXR (NR1H4) modulating compounds US Patent  US10774054 Publication Date 9/15/2020 
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:
BDBM461251
Synonyms:
6-(3-(2-chloro-4-((4- cyclopropyl-1-(2,6-dichloro-4- fluorophenyl)-1H-pyrazol-5- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-5- fluoronicotinic acid | US10774054, Example 5 | US10981881, Example 5
Type:
Small organic molecule
Emp. Form.:
C27H21Cl3F2N4O2
Mol. Mass.:
577.837
SMILES:
OC1(CN(C1)c1ncccc1F)c1ccc(OCc2c(cnn2-c2c(Cl)cc(F)cc2Cl)C2CC2)cc1Cl |(-1.49,1.55,;-1.62,.06,;-2.99,.76,;-3.69,-.61,;-2.32,-1.31,;-5.16,-1.09,;-5.48,-2.59,;-6.94,-3.07,;-8.14,-2.06,;-7.77,-.53,;-6.3,-.06,;-5.98,1.45,;-.16,.54,;.16,2.04,;1.63,2.52,;2.77,1.49,;4.24,1.97,;5.38,.94,;6.85,1.41,;7.32,2.88,;8.86,2.88,;9.34,1.41,;8.09,.51,;8.09,-1.03,;9.43,-1.8,;10.76,-1.03,;9.43,-3.34,;8.09,-4.11,;8.09,-5.65,;6.76,-3.34,;6.76,-1.8,;5.42,-1.03,;6.42,4.12,;6.26,5.65,;5.01,4.75,;2.45,-.02,;.99,-.49,;.67,-2,)|
Structure:
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