Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323526
Substrate
n/a
Meas. Tech.
ChEMBL_644899 (CHEMBL1211229)
EC50
12±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:
BDBM50323526
Synonyms:
3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid | CHEMBL1209111
Type:
Small organic molecule
Emp. Form.:
C28H24Cl2F3N3O4
Mol. Mass.:
594.409
SMILES:
CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(27.52,7.37,;26.9,5.96,;25.37,5.79,;27.81,4.72,;29.36,4.72,;29.85,3.25,;28.6,2.34,;27.34,3.24,;26.01,2.48,;24.68,3.24,;23.34,2.47,;22,3.23,;20.67,2.45,;20.68,.92,;19.35,.15,;19.36,-1.39,;18.02,.91,;16.68,.14,;15.35,.9,;14.02,.13,;14.02,-1.41,;15.35,-2.18,;16.69,-1.41,;15.35,-3.72,;14.02,-4.49,;16.69,-4.49,;22.02,.15,;23.35,.93,;22.02,-1.39,;20.69,-2.16,;23.35,-2.16,;22,-2.92,;28.6,.81,;29.94,.05,;31.26,.83,;29.95,-1.49,;28.61,-2.27,;27.27,-1.51,;27.27,.03,;25.93,.8,)|
Structure:
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