Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323527
Substrate
n/a
Meas. Tech.
ChEMBL_644899 (CHEMBL1211229)
EC50
40±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:
BDBM50323527
Synonyms:
4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)-N-(methylsulfonyl)benzamide | CHEMBL1209112
Type:
Small organic molecule
Emp. Form.:
C29H27Cl2F3N4O5S
Mol. Mass.:
671.515
SMILES:
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.76,-5.27,;8.14,-6.68,;6.61,-6.85,;9.05,-7.92,;10.6,-7.92,;11.09,-9.39,;9.84,-10.3,;8.58,-9.4,;7.25,-10.16,;5.92,-9.4,;4.58,-10.17,;3.24,-9.41,;1.91,-10.18,;1.92,-11.71,;.59,-12.49,;.6,-14.03,;-.74,-11.72,;-2.08,-12.5,;-2.07,-14.05,;-3.41,-14.82,;-4.74,-14.05,;-4.74,-12.51,;-3.41,-11.74,;-6.08,-14.82,;-6.08,-16.36,;-7.41,-14.05,;-8.74,-14.82,;-10.08,-14.05,;-9.53,-16.15,;-7.99,-16.15,;3.26,-12.49,;4.59,-11.71,;3.26,-14.03,;1.93,-14.8,;4.59,-14.79,;3.24,-15.56,;9.84,-11.83,;11.18,-12.59,;12.5,-11.81,;11.19,-14.13,;9.85,-14.91,;8.51,-14.15,;8.51,-12.61,;7.17,-11.84,)|
Structure:
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