Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323528
Substrate
n/a
Meas. Tech.
ChEMBL_644901 (CHEMBL1211231)
EC50
214±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:
BDBM50323528
Synonyms:
2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)phenoxy)acetic acid | CHEMBL1209113
Type:
Small organic molecule
Emp. Form.:
C29H26Cl2F3N3O5
Mol. Mass.:
624.435
SMILES:
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(32.35,-3.82,;31.73,-5.23,;30.2,-5.4,;32.64,-6.48,;34.19,-6.47,;34.68,-7.94,;33.43,-8.85,;32.17,-7.95,;30.84,-8.72,;29.51,-7.95,;28.17,-8.72,;26.83,-7.96,;25.5,-8.74,;25.51,-10.27,;24.18,-11.04,;24.19,-12.58,;22.85,-10.28,;21.51,-11.05,;21.52,-12.6,;20.18,-13.38,;18.85,-12.6,;17.51,-13.37,;16.18,-12.6,;14.85,-13.37,;13.51,-12.6,;14.85,-14.91,;18.85,-11.06,;20.18,-10.29,;26.85,-11.04,;28.18,-10.27,;26.85,-12.58,;25.52,-13.35,;28.18,-13.35,;26.83,-14.12,;33.43,-10.39,;34.77,-11.15,;36.09,-10.37,;34.78,-12.68,;33.44,-13.47,;32.1,-12.7,;32.1,-11.16,;30.76,-10.4,)|
Structure:
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