Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50297947
Substrate
n/a
Meas. Tech.
ChEMBL_584610 (CHEMBL1059111)
EC50
1100±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:
BDBM50297947
Synonyms:
3-[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid | CHEMBL564917
Type:
Small organic molecule
Emp. Form.:
C28H22Cl2N2O5
Mol. Mass.:
537.391
SMILES:
CC(C)c1onc(c1COc1ccc2C(=O)N(Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.06,-38.67,;25.43,-40.16,;24.33,-41.23,;26.92,-40.58,;28.15,-39.67,;29.4,-40.56,;28.93,-42.03,;27.39,-42.04,;26.64,-43.38,;25.1,-43.39,;24.33,-44.73,;25.11,-46.05,;24.35,-47.39,;22.8,-47.4,;21.77,-48.54,;22.1,-50.05,;20.37,-47.92,;20.53,-46.38,;22.04,-46.06,;22.79,-44.73,;19.04,-48.69,;19.05,-50.23,;17.72,-51,;16.37,-50.23,;16.37,-48.69,;17.71,-47.92,;15.04,-47.92,;13.7,-48.69,;15.04,-46.38,;29.74,-43.34,;31.27,-43.3,;32,-41.95,;32.07,-44.61,;31.34,-45.98,;29.8,-46.01,;28.99,-44.7,;27.45,-44.73,)|
Structure:
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