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Target
Bile acid receptor
Ligand
BDBM50297959
Substrate
n/a
Meas. Tech.
ChEMBL_584608 (CHEMBL1059109)
EC50
1700±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:
BDBM50297959
Synonyms:
3-[(2-{2-[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]ethyl}-1,3-benzoxazol-7-yl)amino]benzoic acid | CHEMBL559890
Type:
Small organic molecule
Emp. Form.:
C28H23Cl2N3O4
Mol. Mass.:
536.406
SMILES:
CC(C)c1onc(c1CCc1nc2cccc(Nc3cccc(c3)C(O)=O)c2o1)-c1c(Cl)cccc1Cl |(9.26,.68,;9.63,-.81,;8.53,-1.88,;11.12,-1.23,;12.35,-.32,;13.61,-1.22,;13.14,-2.69,;11.6,-2.69,;10.84,-4.03,;9.29,-4.04,;8.53,-5.38,;9.17,-6.78,;8.03,-7.82,;8.03,-9.35,;6.71,-10.12,;5.37,-9.36,;5.37,-7.82,;4.03,-7.05,;2.7,-7.82,;2.71,-9.35,;1.39,-10.13,;.04,-9.36,;.04,-7.82,;1.37,-7.05,;-1.3,-7.05,;-2.63,-7.82,;-1.3,-5.51,;6.69,-7.05,;7,-5.54,;13.94,-4,;15.47,-3.96,;16.21,-2.6,;16.28,-5.27,;15.54,-6.63,;14,-6.66,;13.2,-5.35,;11.66,-5.39,)|
Structure:
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