Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50297945
Substrate
n/a
Meas. Tech.
ChEMBL_584608 (CHEMBL1059109)
EC50
110±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:
BDBM50297945
Synonyms:
3-(6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)naphthalen-2-yl)benzoic acid | CHEMBL559554
Type:
Small organic molecule
Emp. Form.:
C30H23Cl2NO4
Mol. Mass.:
532.414
SMILES:
CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.93,-29.27,;21.31,-30.76,;20.2,-31.84,;22.79,-31.19,;24.02,-30.27,;25.28,-31.17,;24.81,-32.64,;23.27,-32.65,;22.51,-33.98,;20.97,-33.99,;20.21,-35.33,;20.98,-36.65,;20.23,-37.99,;18.69,-38,;17.92,-39.34,;16.38,-39.35,;15.6,-38.01,;16.36,-36.67,;17.91,-36.67,;18.67,-35.33,;15.63,-40.69,;16.4,-42.01,;15.65,-43.35,;14.11,-43.37,;13.32,-42.04,;14.09,-40.7,;11.78,-42.05,;11.03,-43.39,;11.01,-40.72,;25.61,-33.95,;27.14,-33.91,;27.88,-32.55,;27.95,-35.22,;27.21,-36.58,;25.67,-36.61,;24.87,-35.3,;23.33,-35.33,)|
Structure:
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