Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50336659
Substrate
n/a
Meas. Tech.
ChEMBL_726091 (CHEMBL1678687)
EC50
52±n/a nM
Citation
 Bass, JY; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Madauss, KP; Marr, HB; McFadyen, RB; Miller, AB; Mills, WY; Navas, F; Parks, DJ; Smalley, TL; Spearing, PK; Todd, D; Williams, SP; Wisely, GB Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene. Bioorg Med Chem Lett 21:1206-13 (2011) [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:
BDBM50336659
Synonyms:
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-(ethyloxy)-2-quinolinecarboxylic acid | CHEMBL1672464
Type:
Small organic molecule
Emp. Form.:
C31H26Cl2N2O5
Mol. Mass.:
577.455
SMILES:
CCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(18.6,3.49,;18.6,1.95,;19.93,1.18,;19.93,-.36,;18.59,-1.13,;18.6,-2.68,;19.93,-3.44,;21.26,-2.67,;22.6,-3.45,;23.93,-2.67,;23.92,-1.14,;22.59,-.37,;21.26,-1.13,;25.26,-.37,;26.59,-1.14,;27.93,-.37,;27.92,1.18,;29.25,1.96,;30.59,1.19,;31.92,1.97,;33.33,1.34,;34.35,2.49,;33.58,3.82,;32.07,3.49,;30.92,4.52,;31.23,6.03,;29.46,4.03,;33.65,-.16,;35.11,-.63,;36.25,.41,;35.44,-2.13,;34.29,-3.17,;32.82,-2.7,;32.5,-1.19,;31.04,-.72,;26.59,1.95,;25.26,1.17,;17.27,-3.46,;15.93,-2.69,;17.27,-5,)|
Structure:
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