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Target
Bile acid receptor
Ligand
BDBM50323536
Substrate
n/a
Meas. Tech.
ChEMBL_644899 (CHEMBL1211229)
EC50
242±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:
BDBM50323536
Synonyms:
4-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)pyridin-2-yl)(methyl)amino)methyl)benzoic acid | CHEMBL1209227
Type:
Small organic molecule
Emp. Form.:
C27H24Cl3N3O4
Mol. Mass.:
560.856
SMILES:
CC(C)c1onc(c1COc1cnc(N(C)Cc2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(27.95,6.97,;27.33,5.56,;25.8,5.4,;28.24,4.32,;29.79,4.32,;30.27,2.86,;29.02,1.94,;27.77,2.85,;26.44,2.08,;25.11,2.85,;23.77,2.07,;22.42,2.84,;21.1,2.06,;21.11,.53,;19.78,-.25,;19.79,-1.79,;18.44,.52,;17.11,-.26,;17.12,-1.81,;15.78,-2.58,;14.45,-1.81,;14.45,-.26,;15.78,.51,;13.11,-2.58,;11.78,-1.81,;13.11,-4.12,;22.44,-.24,;22.45,-1.78,;23.77,.53,;29.03,.41,;30.36,-.35,;31.69,.43,;30.37,-1.89,;29.04,-2.67,;27.7,-1.9,;27.7,-.37,;26.36,.4,)|
Structure:
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