Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50301758
Substrate
n/a
Meas. Tech.
ChEMBL_598064 (CHEMBL1049754)
EC50
12±n/a nM
Citation
 Mehlmann, JF; Crawley, ML; Lundquist, JT; Unwalla, RJ; Harnish, DC; Evans, MJ; Kim, CY; Wrobel, JE; Mahaney, PE Pyrrole[2,3-d]azepino compounds as agonists of the farnesoid X receptor (FXR). Bioorg Med Chem Lett 19:5289-92 (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:
BDBM50301758
Synonyms:
CHEMBL578757 | isopropyl 6-(3-chlorobenzoyl)-2-cyano-4,4-dimethyl-1,4,5,6-tetrahydropyrrolo[3,2-d]azepine-8-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O3
Mol. Mass.:
411.881
SMILES:
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(Cl)c1 |t:6|
Structure:
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