Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50355015
Substrate
n/a
Meas. Tech.
ChEMBL_772464 (CHEMBL1839255)
EC50
550±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:
BDBM50355015
Synonyms:
CHEMBL1834967
Type:
Small organic molecule
Emp. Form.:
C30H27Cl2NO4
Mol. Mass.:
536.446
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2C(CCCc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.61,-4.33,;20.29,-5.83,;18.83,-6.32,;21.44,-6.86,;22.95,-6.53,;23.72,-7.86,;22.7,-9.01,;21.29,-8.39,;19.96,-9.17,;18.62,-8.4,;17.29,-9.18,;17.3,-10.73,;15.96,-11.5,;14.63,-10.73,;14.63,-9.19,;15.96,-8.41,;13.29,-11.5,;13.3,-13.03,;11.97,-13.81,;10.63,-13.03,;9.3,-13.8,;7.96,-13.03,;7.96,-11.49,;9.29,-10.72,;10.63,-11.49,;11.96,-10.73,;9.31,-15.35,;7.97,-16.12,;10.64,-16.11,;23.02,-10.52,;24.48,-10.98,;25.62,-9.94,;24.82,-12.48,;23.67,-13.52,;22.2,-13.05,;21.88,-11.55,;20.41,-11.07,)|
Structure:
Search PDB for entries with ligand similarity: