Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50459099
Substrate
n/a
Meas. Tech.
ChEMBL_1765635 (CHEMBL4200882)
EC50
126±n/a nM
Citation
 Chen, T; Reich, NW; Bell, N; Finn, PD; Rodriguez, D; Kohler, J; Kozuka, K; He, L; Spencer, AG; Charmot, D; Navre, M; Carreras, CW; Koo-McCoy, S; Tabora, J; Caldwell, JS; Jacobs, JW; Lewis, JG Design of Gut-Restricted Thiazolidine Agonists of G Protein-Coupled Bile Acid Receptor 1 (GPBAR1, TGR5). J Med Chem 61:7589-7613 (2018) [PubMed]  Article 
Target
Name:
G-protein coupled bile acid receptor 1
Synonyms:
BG37 | GPBAR1 | GPBAR_HUMAN | M-BAR | TGR5 | hBG37 | hGPCR19
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
35260.02
Organism:
Homo sapiens (Human)
Description:
CHO cells transiently transfected with hTGR5.
Residue:
330
Sequence:
MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPYVATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQGLWGRASRDSPGPSIAYHPSSQSSVDLDLN
  
Inhibitor
Name:
BDBM50459099
Synonyms:
CHEMBL4202981
Type:
Small organic molecule
Emp. Form.:
C36H42Cl2N4O8S
Mol. Mass.:
761.712
SMILES:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r|
Structure:
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