Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50527039
Substrate
n/a
Meas. Tech.
ChEMBL_1901877 (CHEMBL4404099)
EC50
38±n/a nM
Citation
 Chianelli, D; Rucker, PV; Roland, J; Tully, DC; Nelson, J; Liu, X; Bursulaya, B; Hernandez, ED; Wu, J; Prashad, M; Schlama, T; Liu, Y; Chu, A; Schmeits, J; Huang, DJ; Hill, R; Bao, D; Zoll, J; Kim, Y; Groessl, T; McNamara, P; Liu, B; Richmond, W; Sancho-Martinez, I; Phimister, A; Seidel, HM; Badman, MK; Joseph, SB; Laffitte, B; Molteni, V Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem 63:3868-3880 (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:
BDBM50527039
Synonyms:
CHEMBL4472502
Type:
Small organic molecule
Emp. Form.:
C23H23BrN4O3
Mol. Mass.:
483.358
SMILES:
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
Structure:
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