Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM408974
Substrate
n/a
Meas. Tech.
In Vitro FXR Assay (TK)
EC50
5500±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:
BDBM408974
Synonyms:
(E)-3-(1-(N-((4′-Methoxy-3′-methyl-[1,1′-biphenyl]-4-yl)methyl)-3,3-dimethylbutanamido)isoquinolin-6-yl)acrylic Acid | US10377717, Compound 103
Type:
Small organic molecule
Emp. Form.:
C33H34N2O4
Mol. Mass.:
522.6341
SMILES:
COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(\C=C\C(O)=O)ccc23)cc1
Structure:
Search PDB for entries with ligand similarity: