Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50355023
Substrate
n/a
Meas. Tech.
ChEMBL_772465 (CHEMBL1839256)
EC50
110±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:
BDBM50355023
Synonyms:
CHEMBL1835049
Type:
Small organic molecule
Emp. Form.:
C28H22Cl2N2O4
Mol. Mass.:
521.391
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2[nH]c(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(47.02,-27.11,;46.71,-28.61,;45.25,-29.1,;47.86,-29.64,;49.36,-29.31,;50.14,-30.65,;49.11,-31.79,;47.7,-31.17,;46.37,-31.95,;45.04,-31.18,;43.7,-31.96,;43.71,-33.51,;42.37,-34.28,;41.04,-33.51,;41.04,-31.97,;42.37,-31.2,;39.71,-34.28,;39.67,-35.82,;38.31,-36.54,;37,-35.75,;35.53,-36.19,;34.66,-34.93,;35.59,-33.71,;37.04,-34.21,;38.4,-33.47,;33.11,-34.9,;32.37,-33.55,;32.31,-36.21,;49.44,-33.3,;50.9,-33.76,;52.03,-32.72,;51.23,-35.26,;50.09,-36.3,;48.62,-35.83,;48.29,-34.33,;46.83,-33.86,)|
Structure:
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