Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50050083
Substrate
n/a
Meas. Tech.
ChEMBL_1457466 (CHEMBL3367606)
EC50
>10000±n/a nM
Citation
 Fauber, BP; René, O; de Leon Boenig, G; Burton, B; Deng, Y; Eidenschenk, C; Everett, C; Gobbi, A; Hymowitz, SG; Johnson, AR; La, H; Liimatta, M; Lockey, P; Norman, M; Ouyang, W; Wang, W; Wong, H Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists. Bioorg Med Chem Lett 24:3891-7 (2014) [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:
BDBM50050083
Synonyms:
CHEMBL3317833 | US9216988, 101
Type:
Small organic molecule
Emp. Form.:
C24H33N3O3S
Mol. Mass.:
443.602
SMILES:
CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
Structure:
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