Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323518
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
474±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:
BDBM50323518
Synonyms:
4-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-ylcarbamoyl)benzoic acid | CHEMBL1209002
Type:
Small organic molecule
Emp. Form.:
C27H20Cl2F3N3O5
Mol. Mass.:
594.366
SMILES:
CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(6.31,-3.35,;5.69,-4.76,;4.16,-4.92,;6.6,-6,;8.15,-6,;8.63,-7.46,;7.38,-8.38,;6.13,-7.47,;4.8,-8.25,;3.46,-7.49,;2.13,-8.27,;.79,-7.5,;-.54,-8.28,;-.53,-9.81,;-1.86,-10.58,;-3.19,-9.82,;-3.2,-8.28,;-4.53,-10.59,;-5.86,-9.83,;-7.19,-10.6,;-7.19,-12.15,;-5.86,-12.92,;-4.52,-12.14,;-8.53,-12.91,;-9.86,-12.14,;-8.53,-14.45,;.81,-10.58,;2.14,-9.81,;.81,-12.12,;-.52,-12.89,;2.14,-12.89,;.79,-13.66,;7.39,-9.91,;8.72,-10.67,;10.05,-9.89,;8.74,-12.21,;7.4,-12.99,;6.06,-12.22,;6.06,-10.69,;4.72,-9.92,)|
Structure:
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