Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50355025
Substrate
n/a
Meas. Tech.
ChEMBL_772465 (CHEMBL1839256)
EC50
490±n/a nM
Citation
 Akwabi-Ameyaw, A; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Madauss, KP; Marr, HB; Miller, AB; Navas, F; Parks, DJ; Spearing, PK; Todd, D; Williams, SP; Wisely, GB Conformationally constrained farnesoid X receptor (FXR) agonists: alternative replacements of the stilbene. Bioorg Med Chem Lett 21:6154-60 (2011) [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:
BDBM50355025
Synonyms:
CHEMBL1835051
Type:
Small organic molecule
Emp. Form.:
C29H25Cl2NO4
Mol. Mass.:
522.419
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2CC(Cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(49.11,-38.14,;48.79,-39.65,;47.33,-40.13,;49.94,-40.68,;51.45,-40.35,;52.22,-41.68,;51.2,-42.83,;49.79,-42.21,;48.46,-42.99,;47.12,-42.22,;45.79,-43,;45.79,-44.55,;44.46,-45.32,;43.12,-44.55,;43.13,-43,;44.45,-42.23,;41.79,-45.31,;41.75,-46.85,;40.39,-47.58,;39.09,-46.79,;37.62,-47.23,;36.74,-45.97,;37.67,-44.74,;39.12,-45.25,;40.48,-44.51,;35.2,-45.94,;34.46,-44.58,;34.4,-47.25,;51.52,-44.34,;52.98,-44.8,;54.12,-43.76,;53.31,-46.3,;52.17,-47.34,;50.7,-46.87,;50.38,-45.37,;48.91,-44.89,)|
Structure:
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