Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50336650
Substrate
n/a
Meas. Tech.
ChEMBL_726091 (CHEMBL1678687)
EC50
360±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:
BDBM50336650
Synonyms:
7-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1,2,4-benzotriazine-3-carboxylic acid | CHEMBL1672455
Type:
Small organic molecule
Emp. Form.:
C27H20Cl2N4O4
Mol. Mass.:
535.378
SMILES:
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(nnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.19,-22.75,;-.5,-24.26,;-1.96,-24.74,;.65,-25.28,;2.16,-24.96,;2.93,-26.29,;1.9,-27.44,;.5,-26.81,;-.83,-27.59,;-2.17,-26.82,;-3.5,-27.6,;-3.49,-29.15,;-4.83,-29.92,;-6.16,-29.15,;-6.16,-27.6,;-4.83,-26.83,;-7.5,-29.92,;-7.49,-31.45,;-8.82,-32.22,;-10.16,-31.45,;-11.5,-32.22,;-12.83,-31.46,;-12.84,-29.91,;-11.5,-29.14,;-10.16,-29.91,;-8.83,-29.14,;-14.16,-32.23,;-15.5,-31.47,;-14.16,-33.77,;2.23,-28.94,;3.69,-29.41,;4.83,-28.37,;4.01,-30.91,;2.87,-31.95,;1.4,-31.47,;1.08,-29.97,;-.39,-29.5,)|
Structure:
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