Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM408908
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:
BDBM408908
Synonyms:
Methyl 1-(N-(4-(6-(dimethylamino)pyridin-3- yl)benzyl)-3,3- dimethylbutanamido) isoquinoline-6-carboxylate | US10377717, Compound 38
Type:
Small organic molecule
Emp. Form.:
C31H34N4O3
Mol. Mass.:
510.6267
SMILES:
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)CC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: