Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50297958
Substrate
n/a
Meas. Tech.
ChEMBL_584610 (CHEMBL1059111)
EC50
81±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:
BDBM50297958
Synonyms:
3-{[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1-naphthalenyl]amino}benzoic acid | CHEMBL554727
Type:
Small organic molecule
Emp. Form.:
C30H24Cl2N2O4
Mol. Mass.:
547.429
SMILES:
CC(C)c1onc(c1COc1ccc2c(Nc3cccc(c3)C(O)=O)cccc2c1)-c1c(Cl)cccc1Cl |(25.75,-35.24,;26.13,-36.73,;25.03,-37.8,;27.61,-37.16,;28.85,-36.24,;30.1,-37.14,;29.64,-38.61,;28.1,-38.62,;27.33,-39.95,;25.79,-39.96,;25.03,-41.3,;23.49,-41.3,;22.72,-42.64,;23.51,-43.97,;22.76,-45.32,;21.22,-45.34,;20.47,-46.69,;21.26,-48,;20.52,-49.35,;18.97,-49.37,;18.18,-48.05,;18.93,-46.7,;16.64,-48.07,;15.89,-49.41,;15.85,-46.74,;23.55,-46.65,;25.1,-46.62,;25.84,-45.27,;25.06,-43.95,;25.8,-42.62,;30.43,-39.91,;31.96,-39.87,;32.7,-38.52,;32.77,-41.18,;32.03,-42.55,;30.49,-42.58,;29.69,-41.27,;28.15,-41.3,)|
Structure:
Search PDB for entries with ligand similarity: