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Target
Bile acid receptor
Ligand
BDBM21674
Substrate
n/a
Meas. Tech.
ChEMBL_793021 (CHEMBL1932587)
EC50
16800±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:
BDBM21674
Synonyms:
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid | CDCA | CHENODIOL | Chenodeoxycholic Acid | US10208081, CDCA
Type:
Steroid
Emp. Form.:
C24H40O4
Mol. Mass.:
392.572
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Structure:
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