Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM461250
Substrate
n/a
Meas. Tech.
Mammalian One Hybrid (M1H) Assay
EC50
176±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:
BDBM461250
Synonyms:
6-(3-(2-chloro-4-((3-(2,6- dichloro-4-fluorophenyl)-5- methylisoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1-yl)-5- fluoronicotinic acid | US10774054, Example 4 | US10981881, Example 4
Type:
Small organic molecule
Emp. Form.:
C26H18Cl3F2N3O5
Mol. Mass.:
596.794
SMILES:
Cc1onc(c1COc1ccc(c(Cl)c1)C1(O)CN(C1)c1ncc(cc1F)C(O)=O)-c1c(Cl)cc(F)cc1Cl |(6.55,4.63,;7.46,3.39,;9,3.39,;9.47,1.92,;8.23,1.02,;6.98,1.92,;5.52,1.45,;4.37,2.48,;2.83,2.48,;2.06,3.81,;.52,3.81,;-.25,2.48,;.52,1.14,;-.25,-.19,;2.06,1.14,;-1.79,2.48,;-1.79,4.02,;-2.88,3.57,;-3.97,2.48,;-2.88,1.39,;-5.51,2.48,;-6.28,1.14,;-7.82,1.14,;-8.59,2.48,;-7.82,3.81,;-6.28,3.81,;-5.51,5.14,;-10.13,2.48,;-10.9,1.14,;-10.9,3.81,;8.23,-.52,;9.56,-1.29,;10.9,-.52,;9.56,-2.83,;8.23,-3.6,;8.23,-5.14,;6.89,-2.83,;6.89,-1.29,;5.56,-.52,)|
Structure:
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