Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM408963
Substrate
n/a
Meas. Tech.
In Vitro FXR Assay (TK)
EC50
>10000±n/a nM
Citation
 Smith, ND; Govek, SP Farnesoid X receptor agonists and uses thereof US Patent  US10377717 Publication Date 8/13/2019 
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:
BDBM408963
Synonyms:
Methyl 1-(N-((trans-4-(2- methoxyphenyl) cyclohexyl)methyl)-3,3- dimethylbutanamido) isoquinoline-6-carboxylate | US10377717, Compound 92
Type:
Small organic molecule
Emp. Form.:
C31H38N2O4
Mol. Mass.:
502.6444
SMILES:
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccccc1OC)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(8.67,-2.69,;7.34,-1.93,;6,-2.69,;6,-4.23,;4.67,-1.93,;4.67,-.38,;3.33,.38,;2,-.38,;.67,.38,;-.67,-.38,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;.67,1.93,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-6,-.38,;-6,-1.93,;-7.34,-2.69,;-8.67,-1.93,;-8.67,-.38,;-7.34,.38,;-7.34,1.93,;-8.67,2.69,;2,2.69,;2,4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;6,3.47,)|
Structure:
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