| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Bile acid receptor |
|---|
| Ligand | BDBM50553986 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2048200 (CHEMBL4702899) |
|---|
| EC50 | 0.700000±n/a nM |
|---|
| Citation |  Li, J; Liu, M; Li, Y; Sun, DD; Shu, Z; Tan, Q; Guo, S; Xie, R; Gao, L; Ru, H; Zang, Y; Liu, H; Li, J; Zhou, Y Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem63:12748-12772 (2020) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Bile acid receptor |
|---|
| 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: | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ
|
|
|
|---|
| BDBM50553986 |
|---|
| n/a |
|---|
| Name | BDBM50553986 |
|---|
| Synonyms: | CHEMBL4794704 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C31H28F4N2O5S |
|---|
| Mol. Mass. | 616.623 |
|---|
| SMILES | OC(=O)c1csc2cc(ccc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:8:12:18.42.17:14.15| |
|---|
| Structure | 
|
|---|
Search and Browse
