Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323534
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
1420±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:
BDBM50323534
Synonyms:
2-(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzamido)ethanesulfonic acid | CHEMBL1209174
Type:
Small organic molecule
Emp. Form.:
C30H27Cl2F3N4O6S
Mol. Mass.:
699.525
SMILES:
CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)|
Structure:
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