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Target
Bile acid receptor
Ligand
BDBM50359364
Substrate
n/a
Meas. Tech.
ChEMBL_793021 (CHEMBL1932587)
EC50
3150±n/a nM
Citation
 Schuster, D; Markt, P; Grienke, U; Mihaly-Bison, J; Binder, M; Noha, SM; Rollinger, JM; Stuppner, H; Bochkov, VN; Wolber, G Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation. Bioorg Med Chem 19:7168-80 (2011) [PubMed]  Article 
Target
Name:
Bile acid receptor
Synonyms:
Bar | Farnesoid X-activated receptor | Farnesol receptor HRR-1 | Fxr | NR1H4_MOUSE | Nr1h4 | Nuclear receptor subfamily 1 group H member 4 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | Rip14
Type:
PROTEIN
Mol. Mass.:
55996.68
Organism:
Mus musculus
Description:
ChEMBL_793021
Residue:
488
Sequence:
MVMQFQGLENPIQISLHHSHRLSGFVPEGMSVKPAKGMLTEHAAGPLGQNLDLESYSPYNNVPFPQVQPQISSSSYYSNLGFYPQQPEDWYSPGIYELRRMPAETGYQGETEVSEMPVTKKPRMAAASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTANEDDSEGRDLRQVTSTTKFCREKTELTADQQTLLDYIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATSHVQILVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPAGHADLLEERIRKSGISDEYITPMFSFYKSVGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKMYQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50359364
Synonyms:
CHEMBL1929242
Type:
Small organic molecule
Emp. Form.:
C28H38N2O3
Mol. Mass.:
450.6129
SMILES:
COc1ccc(cc1)N1CCN(C[C@H](O)COc2cc3CCCCc3c3CCCCc23)CC1 |r|
Structure:
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