Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323542
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
95±n/a nM
Citation
 Abel, U; Schlüter, T; Schulz, A; Hambruch, E; Steeneck, C; Hornberger, M; Hoffmann, T; Perovic-Ottstadt, S; Kinzel, O; Burnet, M; Deuschle, U; Kremoser, C Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. Bioorg Med Chem Lett 20:4911-7 (2010) [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:
BDBM50323542
Synonyms:
4-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)methoxy)benzoic acid | CHEMBL1209294
Type:
Small organic molecule
Emp. Form.:
C27H19Cl2F3N2O5
Mol. Mass.:
579.351
SMILES:
OC(=O)c1ccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)cc1 |(11.81,-36.69,;13.14,-37.46,;13.14,-39,;14.48,-36.69,;15.81,-37.46,;17.15,-36.69,;17.14,-35.14,;18.47,-34.37,;19.81,-35.13,;21.14,-34.36,;21.13,-32.83,;22.45,-32.05,;23.8,-32.81,;25.14,-32.04,;26.47,-32.8,;27.8,-32.04,;29.06,-32.94,;30.3,-32.03,;29.82,-30.56,;28.27,-30.56,;27.35,-29.33,;27.19,-27.8,;25.95,-28.71,;29.06,-34.47,;30.39,-35.23,;31.72,-34.45,;30.41,-36.77,;29.07,-37.55,;27.73,-36.79,;27.73,-35.25,;26.39,-34.48,;23.81,-34.35,;22.48,-35.13,;22.48,-36.67,;21.14,-37.44,;23.81,-37.44,;22.46,-38.2,;15.81,-34.38,;14.48,-35.15,)|
Structure:
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