Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50250871
Substrate
n/a
Meas. Tech.
ChEBML_1682489
EC50
205±n/a nM
Citation
 Tully, DC; Rucker, PV; Chianelli, D; Williams, J; Vidal, A; Alper, PB; Mutnick, D; Bursulaya, B; Schmeits, J; Wu, X; Bao, D; Zoll, J; Kim, Y; Groessl, T; McNamara, P; Seidel, HM; Molteni, V; Liu, B; Phimister, A; Joseph, SB; Laffitte, B Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). J Med Chem 60:9960-9973 (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:
BDBM50250871
Synonyms:
CHEMBL4071018
Type:
Small organic molecule
Emp. Form.:
C28H49NO6S
Mol. Mass.:
527.757
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r|
Structure:
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