Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50415422
Substrate
n/a
Meas. Tech.
ChEMBL_608993 (CHEMBL1073135)
EC50
19.95±n/a nM
Citation
 Budzik, BW; Evans, KA; Wisnoski, DD; Jin, J; Rivero, RA; Szewczyk, GR; Jayawickreme, C; Moncol, DL; Yu, H Synthesis and structure-activity relationships of a series of 3-aryl-4-isoxazolecarboxamides as a new class of TGR5 agonists. Bioorg Med Chem Lett 20:1363-7 (2010) [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:
BDBM50415422
Synonyms:
CHEMBL603921
Type:
Small organic molecule
Emp. Form.:
C20H18Cl2N2O2
Mol. Mass.:
389.275
SMILES:
CC(C)c1onc(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: