Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50336645
Substrate
n/a
Meas. Tech.
ChEMBL_726091 (CHEMBL1678687)
EC50
200±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:
BDBM50336645
Synonyms:
7-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-3-quinolinecarboxylic acid | CHEMBL1672450
Type:
Small organic molecule
Emp. Form.:
C29H22Cl2N2O4
Mol. Mass.:
533.402
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(cnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.5,-2.99,;20.18,-4.5,;18.72,-4.98,;21.33,-5.52,;22.84,-5.2,;23.61,-6.53,;22.59,-7.68,;21.18,-7.05,;19.85,-7.82,;18.51,-7.06,;17.18,-7.83,;17.19,-9.38,;15.85,-10.16,;14.52,-9.38,;14.52,-7.84,;15.85,-7.07,;13.18,-10.15,;13.19,-11.69,;11.86,-12.46,;10.52,-11.69,;9.19,-12.46,;7.86,-11.7,;7.85,-10.15,;9.19,-9.38,;10.52,-10.15,;11.85,-9.38,;6.53,-12.47,;5.19,-11.71,;6.53,-14.01,;22.91,-9.18,;24.37,-9.65,;25.51,-8.61,;24.7,-11.15,;23.55,-12.19,;22.08,-11.71,;21.76,-10.21,;20.3,-9.73,)|
Structure:
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