Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50233486
Substrate
n/a
Meas. Tech.
ChEMBL_1650953 (CHEMBL4000087)
EC50
>50000±n/a nM
Citation
 Zhang, X; Wall, M; Sui, Z; Kauffman, J; Hou, C; Chen, C; Du, F; Kirchner, T; Liang, Y; Johnson, DL; Murray, WV; Demarest, K Discovery of Orally Efficacious Tetrahydrobenzimidazoles as TGR5 Agonists for Type 2 Diabetes. ACS Med Chem Lett 8:560-565 (2017) [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:
BDBM50233486
Synonyms:
CHEMBL4084125
Type:
Small organic molecule
Emp. Form.:
C29H26Cl2F2N2OS
Mol. Mass.:
559.497
SMILES:
CCC1(CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1)c1ccc(Cl)c(OC)c1
Structure:
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