Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50100560
Substrate
n/a
Meas. Tech.
ChEMBL_1456763 (CHEMBL3367085)
EC50
12±n/a nM
Citation
 Park, EJ; Ahn, YG; Jung, SH; Bang, HJ; Kim, M; Hong, DJ; Kim, J; Suh, KH; Kim, YJ; Kim, D; Kim, EY; Lee, K; Min, KH Discovery of novel pyrimidine and malonamide derivatives as TGR5 agonists. Bioorg Med Chem Lett 24:4271-5 (2014) [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:
BDBM50100560
Synonyms:
CHEMBL3321843
Type:
Small organic molecule
Emp. Form.:
C21H18Cl2N4O2S
Mol. Mass.:
461.364
SMILES:
CSc1ncc(C(=O)N2CCN(C)c3ccccc23)c(Oc2cc(Cl)ccc2Cl)n1
Structure:
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