Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM21675
Substrate
BDBM10852
Meas. Tech.
TGR5 Activity Assay
pH
7.2±n/a
Temperature
310.15±n/a K
EC50
755±n/a nM
Comments
The efficacy=101% of 10 uM LCA.
Citation
 Pellicciari, R; Sato, H; Gioiello, A; Costantino, G; Macchiarulo, A; Sadeghpour, BM; Giorgi, G; Schoonjans, K; Auwerx, J Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. J Med Chem 50:4265-8 (2007) [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:
BDBM21675
Synonyms:
(4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid | 6-ECDCA | 6-ethyl chenodeoxycholic acid | 6-ethyl-3,7-dihydroxycholan-24-oic acid | 6ECDCA | 6alpha-Ethyl-Chenodeoxycholic Acid | INT-747 | INT747 | Ocaliva | US10208081, E6-ECDCA | US10266560, Example 6-ECDCA | US11208418, Example Obeticholic | obeticholic acid
Type:
Steroid
Emp. Form.:
C26H44O4
Mol. Mass.:
420.6252
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)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate