Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM408965
Substrate
n/a
Meas. Tech.
In Vitro FXR Assay (TK)
EC50
<1000±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:
BDBM408965
Synonyms:
Methyl 1-(N-((trans-4-(4- methoxyphenyl) cyclohexyl)methyl)-3,3- dimethylbutanamido) isoquinoline-6-carboxylate | US10377717, Compound 94
Type:
Small organic molecule
Emp. Form.:
C31H38N2O4
Mol. Mass.:
502.6444
SMILES:
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)cc1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;6,-.38,;4.67,.38,;3.33,-.38,;2,.38,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-6,-2.69,;-4.67,-1.93,;3.33,2.69,;3.33,4.23,;4.67,1.93,;6,2.69,;7.34,1.93,;6,4.23,;7.34,3.47,)|
Structure:
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