Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50336655
Substrate
n/a
Meas. Tech.
ChEMBL_726091 (CHEMBL1678687)
EC50
51±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:
BDBM50336655
Synonyms:
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-hydroxy-2-quinolinecarboxylic acid | CHEMBL1672460
Type:
Small organic molecule
Emp. Form.:
C29H22Cl2N2O5
Mol. Mass.:
549.401
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(O)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.69,-31.32,;40.38,-32.83,;38.92,-33.31,;41.53,-33.86,;43.04,-33.53,;43.81,-34.86,;42.78,-36.01,;41.38,-35.38,;40.05,-36.16,;38.71,-35.39,;37.38,-36.17,;37.39,-37.72,;36.05,-38.49,;34.72,-37.72,;34.72,-36.17,;36.05,-35.4,;33.38,-38.49,;33.39,-40.02,;32.06,-40.79,;30.72,-40.02,;29.39,-40.79,;28.06,-40.03,;28.05,-38.48,;29.39,-37.71,;29.39,-36.17,;30.72,-38.48,;32.05,-37.71,;26.73,-40.81,;25.39,-40.04,;26.73,-42.35,;43.11,-37.51,;44.57,-37.98,;45.71,-36.94,;44.89,-39.48,;43.75,-40.52,;42.28,-40.05,;41.96,-38.54,;40.49,-38.07,)|
Structure:
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