Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50297941
Substrate
n/a
Meas. Tech.
ChEMBL_584608 (CHEMBL1059109)
EC50
140±n/a nM
Citation
 Akwabi-Ameyaw, A; Bass, JY; Caldwell, RD; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Madauss, KP; Marr, HB; McFadyen, RB; Miller, AB; Navas, F; Parks, DJ; Spearing, PK; Todd, D; Williams, SP; Bruce Wisely, G FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg Med Chem Lett 19:4733-9 (2009) [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:
BDBM50297941
Synonyms:
3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid | 3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1-benzothien-2-yl]benzoic acid | CHEMBL558143
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2NO4S
Mol. Mass.:
538.442
SMILES:
CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.13,-6.36,;20.5,-7.85,;19.39,-8.93,;21.98,-8.27,;23.22,-7.36,;24.47,-8.26,;24,-9.73,;22.46,-9.74,;21.7,-11.07,;20.16,-11.08,;19.4,-12.42,;20.18,-13.74,;19.42,-15.08,;17.87,-15.09,;16.84,-16.24,;15.44,-15.61,;15.59,-14.08,;17.1,-13.76,;17.85,-12.43,;14.1,-16.39,;14.11,-17.92,;12.78,-18.69,;11.44,-17.93,;11.44,-16.39,;12.77,-15.61,;10.1,-15.61,;8.77,-16.39,;10.1,-14.07,;24.8,-11.04,;26.34,-11,;27.07,-9.64,;27.14,-12.31,;26.4,-13.67,;24.86,-13.71,;24.06,-12.39,;22.52,-12.43,)|
Structure:
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