Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50185421
Substrate
n/a
Meas. Tech.
ChEMBL_360809 (CHEMBL866367)
EC50
3400±n/a nM
Citation
 Kainuma, M; Kasuga, J; Hosoda, S; Wakabayashi, K; Tanatani, A; Nagasawa, K; Miyachi, H; Makishima, M; Hashimoto, Y Diphenylmethane skeleton as a multi-template for nuclear receptor ligands: preparation of FXR and PPAR ligands. Bioorg Med Chem Lett 16:3213-8 (2006) [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:
BDBM50185421
Synonyms:
2-(4-(3-(4-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)acetic acid | CHEMBL209145
Type:
Small organic molecule
Emp. Form.:
C34H37Cl2NO5
Mol. Mass.:
610.567
SMILES:
CCC(CC)(c1ccc(OCC(O)=O)c(C)c1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)c(C)c1 |(20.42,5.66,;20.42,4.12,;21.76,3.35,;23.09,4.12,;23.1,5.66,;23.09,2.58,;24.41,3.36,;25.75,2.61,;25.76,1.06,;27.1,.3,;28.43,1.07,;29.77,.31,;31.1,1.09,;29.77,-1.23,;24.43,.28,;24.43,-1.26,;23.09,1.05,;20.43,2.57,;19.09,3.34,;17.76,2.57,;17.76,1.02,;16.43,.25,;15.09,1.02,;13.76,.26,;13.58,-1.3,;12.08,-1.61,;11.32,-.27,;12.36,.87,;12.04,2.38,;10.58,2.85,;9.44,1.81,;10.26,4.35,;11.41,5.39,;12.87,4.91,;13.19,3.4,;14.65,2.92,;14.72,-2.34,;14.39,-3.84,;16.19,-1.87,;19.09,.25,;19.09,-1.29,;20.43,1.02,)|
Structure:
Search PDB for entries with ligand similarity: