| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Bile acid receptor |
|---|
| Ligand | BDBM50394414 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_854776 (CHEMBL2161907) |
|---|
| EC50 | 12910±n/a nM |
|---|
| Citation |  Fu, J; Si, P; Zheng, M; Chen, L; Shen, X; Tang, Y; Li, W Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking. Bioorg Med Chem Lett22:6848-53 (2012) [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
|
|
|
|---|
| BDBM50394414 |
|---|
| n/a |
|---|
| Name | BDBM50394414 |
|---|
| Synonyms: | CHEMBL2158163 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C23H20ClN3O3 |
|---|
| Mol. Mass. | 421.876 |
|---|
| SMILES | NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
