Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323540
Substrate
n/a
Meas. Tech.
ChEMBL_644899 (CHEMBL1211229)
EC50
434±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:
BDBM50323540
Synonyms:
2-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)methoxy)benzoic acid | CHEMBL1209292
Type:
Small organic molecule
Emp. Form.:
C27H19Cl2F3N2O5
Mol. Mass.:
579.351
SMILES:
OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F |(13.66,-21.28,;14.99,-22.05,;16.33,-21.28,;15,-23.59,;13.67,-24.36,;13.67,-25.9,;15,-26.68,;16.34,-25.9,;16.33,-24.35,;17.67,-23.58,;19,-24.34,;20.33,-23.57,;20.32,-22.04,;21.65,-21.26,;22.99,-22.02,;24.33,-21.25,;25.66,-22.02,;26.99,-21.25,;28.25,-22.15,;29.5,-21.24,;29.01,-19.77,;27.46,-19.78,;26.55,-18.54,;26.38,-17.01,;25.14,-17.92,;28.25,-23.69,;29.59,-24.45,;30.91,-23.67,;29.6,-25.98,;28.26,-26.77,;26.92,-26,;26.92,-24.46,;25.58,-23.7,;23,-23.57,;21.67,-24.34,;21.67,-25.88,;20.34,-26.65,;23,-26.65,;21.65,-27.42,)|
Structure:
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