Reaction Details  Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50355021
Substrate
n/a
Meas. Tech.
ChEMBL_772464 (CHEMBL1839255)
EC50
51±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:
BDBM50355021
Synonyms:
CHEMBL1835048
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2NO5
Mol. Mass.:
522.376
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2oc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.35,-27.64,;25.04,-29.14,;23.58,-29.63,;26.19,-30.17,;27.69,-29.84,;28.47,-31.17,;27.44,-32.32,;26.03,-31.7,;24.7,-32.48,;23.37,-31.71,;22.04,-32.49,;22.04,-34.04,;20.7,-34.81,;19.37,-34.04,;19.37,-32.5,;20.7,-31.72,;18.04,-34.81,;18,-36.34,;16.64,-37.07,;15.33,-36.28,;13.86,-36.72,;12.99,-35.46,;13.92,-34.24,;15.37,-34.74,;16.73,-34,;11.44,-35.43,;10.7,-34.08,;10.65,-36.74,;27.77,-33.83,;29.23,-34.29,;30.36,-33.25,;29.56,-35.79,;28.42,-36.83,;26.95,-36.36,;26.62,-34.86,;25.16,-34.38,)|
Structure:
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