Reaction Details  Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50596194
Substrate
n/a
Meas. Tech.
ChEMBL_2219715 (CHEMBL5133049)
EC50
170±n/a nM
Citation
 Fiorillo, B; Sepe, V; Conflitti, P; Roselli, R; Biagioli, M; Marchianò, S; De Luca, P; Baronissi, G; Rapacciuolo, P; Cassiano, C; Catalanotti, B; Zampella, A; Limongelli, V; Fiorucci, S Structural Basis for Developing Multitarget Compounds Acting on Cysteinyl Leukotriene Receptor 1 and G-Protein-Coupled Bile Acid Receptor 1. J Med Chem 64:16512-16529 (2021) [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:
BDBM50596194
Synonyms:
CHEMBL5173976
Type:
Small organic molecule
Emp. Form.:
C21H23NO2
Mol. Mass.:
321.4128
SMILES:
CCC(C)COc1cccc(OCc2ccc3ccccc3n2)c1
Structure:
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