Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50301763
Substrate
n/a
Meas. Tech.
ChEMBL_598064 (CHEMBL1049754)
EC50
640±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
More Info.:
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:
Human
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
Inhibitor
Name:
BDBM50301763
Synonyms:
CHEMBL565729 | isopropyl 2-cyano-6-(4-fluorobenzoyl)-4,4-dimethyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-d]azepine-8-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H24FN3O3
Mol. Mass.:
397.4427
SMILES:
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)cc1