Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323519
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
2030±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:
BDBM50323519
Synonyms:
4-((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-methylpyridin-3-yl)(methyl)carbamoyl)benzoic acid | CHEMBL1209003
Type:
Small organic molecule
Emp. Form.:
C28H25Cl2N3O5
Mol. Mass.:
554.421
SMILES:
CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl |(29.05,-4.4,;28.42,-5.81,;26.89,-5.97,;29.33,-7.05,;30.89,-7.05,;31.37,-8.51,;30.12,-9.43,;28.86,-8.52,;27.53,-9.29,;26.2,-8.53,;24.87,-9.31,;23.52,-8.54,;22.2,-9.32,;22.21,-10.85,;20.88,-11.63,;20.88,-13.17,;19.54,-10.86,;19.53,-9.32,;18.21,-11.64,;16.87,-10.87,;15.55,-11.64,;15.54,-13.19,;16.88,-13.96,;18.21,-13.19,;14.21,-13.96,;12.88,-13.19,;14.21,-15.5,;23.54,-11.62,;23.54,-13.16,;24.87,-10.85,;30.13,-10.96,;31.46,-11.72,;32.79,-10.94,;31.47,-13.26,;30.13,-14.04,;28.8,-13.27,;28.79,-11.74,;27.46,-10.97,)|
Structure:
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