Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM306711
Substrate
n/a
Meas. Tech.
Human FXR (NR1H4) Assay
EC50
<100±n/a nM
Citation
 Or, YS; Xing, X; Shen, R; Wang, B; Granger, B; Ma, J; He, J; Long, J; He, Y; Wang, G Isoxazole derivatives as FXR agonists and methods of use thereof US Patent  US10149835 Publication Date 12/11/2018 
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:
BDBM306711
Synonyms:
US10149835, Example 2
Type:
Small organic molecule
Emp. Form.:
C31H30Cl2N4O5S2
Mol. Mass.:
673.63
SMILES:
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2c1nc2ccc(cc2s1)C(=O)NS(=O)(=O)C1CC1 |r,wU:23.28,TLB:17:18:22.21:25,26:25:22.21:19.24.18,(-13.69,.86,;-12.6,1.95,;-13,3.44,;-11.91,4.53,;-10.42,4.13,;-10.02,2.64,;-8.54,2.24,;-11.11,1.55,;-10.71,.06,;-11.62,-1.18,;-10.71,-2.43,;-9.25,-1.95,;-8.16,-3.04,;-7.76,-4.53,;-6.67,-3.44,;-9.25,-.41,;-7.92,.36,;-6.58,-.41,;-5.25,.36,;-2.61,.62,;-1.48,-.43,;-1.47,-1.97,;-2.48,-3.13,;-2.54,-1.6,;-3.63,-.5,;.24,-.37,;1.78,-.37,;2.68,-1.61,;4.15,-1.14,;5.48,-1.91,;6.81,-1.14,;6.81,.4,;5.48,1.17,;4.15,.4,;2.68,.88,;8.15,1.17,;8.15,2.71,;9.48,.4,;10.81,1.17,;10.04,2.51,;11.58,2.51,;12.15,.4,;12.92,-.93,;13.69,.4,)|
Structure:
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