Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50553984
Substrate
n/a
Meas. Tech.
ChEMBL_2048200 (CHEMBL4702899)
EC50
0.400000±n/a nM
Citation
 Li, J; Liu, M; Li, Y; Sun, DD; Shu, Z; Tan, Q; Guo, S; Xie, R; Gao, L; Ru, H; Zang, Y; Liu, H; Li, J; Zhou, Y Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem 63:12748-12772 (2020) [PubMed]  Article 
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:
BDBM50553984
Synonyms:
CHEMBL4751757
Type:
Small organic molecule
Emp. Form.:
C32H31F4N3O5
Mol. Mass.:
613.5993
SMILES:
Cn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:10:13:19.43.18:15.16|
Structure:
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