Reaction Details  Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50355019
Substrate
n/a
Meas. Tech.
ChEMBL_772465 (CHEMBL1839256)
EC50
530±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:
BDBM50355019
Synonyms:
CHEMBL1835047
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2NO4S
Mol. Mass.:
538.442
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.08,-27.37,;4.77,-28.88,;3.31,-29.36,;5.92,-29.9,;7.42,-29.58,;8.2,-30.91,;7.17,-32.06,;5.77,-31.44,;4.43,-32.21,;3.1,-31.45,;1.77,-32.22,;1.77,-33.77,;.44,-34.55,;-.9,-33.78,;-.9,-32.23,;.43,-31.46,;-2.23,-34.54,;-2.27,-36.08,;-3.63,-36.81,;-4.94,-36.01,;-6.4,-36.45,;-7.28,-35.19,;-6.35,-33.97,;-4.9,-34.48,;-3.54,-33.74,;-8.82,-35.16,;-9.56,-33.81,;-9.62,-36.48,;7.5,-33.56,;8.96,-34.02,;10.1,-32.98,;9.29,-35.52,;8.15,-36.57,;6.68,-36.1,;6.35,-34.59,;4.89,-34.12,)|
Structure:
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