Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50241160
Substrate
n/a
Meas. Tech.
ChEMBL_2150269 (CHEMBL5034731)
EC50
40±n/a nM
Citation
 Helmstädter, M; Kaiser, A; Brunst, S; Schmidt, J; Ronchetti, R; Weizel, L; Proschak, E; Merk, D Second-Generation Dual FXR/sEH Modulators with Optimized Pharmacokinetics. J Med Chem 64:9525-9536 (2021) [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:
BDBM50241160
Synonyms:
CHEMBL4095371
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2O
Mol. Mass.:
316.13
SMILES:
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1Cl
Structure:
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