Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50550156
Substrate
n/a
Meas. Tech.
ChEMBL_2026869 (CHEMBL4681027)
EC50
>100000±n/a nM
Citation
 Pellicciari, R; Passeri, D; De Franco, F; Mostarda, S; Filipponi, P; Colliva, C; Gadaleta, RM; Franco, P; Carotti, A; Macchiarulo, A; Roda, A; Moschetta, A; Gioiello, A Discovery of 3?,7?,11?-Trihydroxy-6?-ethyl-5?-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. J Med Chem 59:9201-9214 (2016) [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:
BDBM50550156
Synonyms:
CHEMBL4790262
Type:
Small organic molecule
Emp. Form.:
C28H46NNaO6
Mol. Mass.:
515.6577
SMILES:
[Na;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[C@]3([H])[#6@H](-[#8])-[#6@H](-[#6]-[#6])[C@]4([H])[#6]-[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6@@H](-[#8])-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](-[#8-])=O |r|
Structure:
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