Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50355017
Substrate
n/a
Meas. Tech.
ChEMBL_772464 (CHEMBL1839255)
EC50
20±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:
BDBM50355017
Synonyms:
CHEMBL1835044
Type:
Small organic molecule
Emp. Form.:
C28H22Cl2N2O4
Mol. Mass.:
521.391
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(3.55,-15.82,;3.24,-17.33,;1.78,-17.81,;4.39,-18.35,;5.89,-18.03,;6.67,-19.36,;5.64,-20.51,;4.23,-19.89,;2.9,-20.66,;1.57,-19.9,;.23,-20.67,;.24,-22.22,;-1.1,-23,;-2.43,-22.23,;-2.43,-20.68,;-1.1,-19.91,;-3.77,-22.99,;-3.76,-24.53,;-5.09,-25.3,;-6.43,-24.53,;-7.89,-25.01,;-8.8,-23.77,;-7.9,-22.52,;-6.43,-22.99,;-5.1,-22.22,;-8.37,-26.48,;-9.87,-26.8,;-7.34,-27.62,;5.97,-22.01,;7.43,-22.47,;8.56,-21.43,;7.76,-23.97,;6.62,-25.02,;5.15,-24.55,;4.82,-23.04,;3.36,-22.57,)|
Structure:
Search PDB for entries with ligand similarity: