Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50335908
Substrate
n/a
Meas. Tech.
ChEMBL_717116 (CHEMBL1671292)
IC50
1500±n/a nM
Citation
 Choi, H; Hwang, H; Chin, J; Kim, E; Lee, J; Nam, SJ; Lee, BC; Rho, BJ; Kang, H Tuberatolides, potent FXR antagonists from the Korean marine tunicate Botryllus tuberatus. J Nat Prod 74:90-4 (2011) [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:
BDBM50335908
Synonyms:
CHEMBL1668774 | tuberatolide B
Type:
Small organic molecule
Emp. Form.:
C27H34O4
Mol. Mass.:
422.5565
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]2([#6])[#8]-c3c(-[#6])cc(-[#8])cc3-[#6]=[#6]2)-[#8]-[#6]-1=O |r,c:27,t:6|
Structure:
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