Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50241168
Substrate
n/a
Meas. Tech.
ChEMBL_1669525 (CHEMBL4019413)
EC50
44±n/a nM
Citation
 Schmidt, J; Rotter, M; Weiser, T; Wittmann, S; Weizel, L; Kaiser, A; Heering, J; Goebel, T; Angioni, C; Wurglics, M; Paulke, A; Geisslinger, G; Kahnt, A; Steinhilber, D; Proschak, E; Merk, D A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. J Med Chem 60:7703-7724 (2017) [PubMed]  Article 
Target
Name:
Bile acid receptor
Synonyms:
Farnesol receptor HRR-1 | Nuclear receptor subfamily 1 group H member 4 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor | NR1H4_HUMAN | NR1H4 | BAR | FXR | HRR1 | RIP14 | Bile acid receptor FXR
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Human
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50241168
Synonyms:
CHEMBL4061980
Type:
Small organic molecule
Emp. Form.:
C19H24N2O3S
Mol. Mass.:
360.15
SMILES:
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
Structure:
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