Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50414954
Substrate
n/a
Meas. Tech.
ChEMBL_593389 (CHEMBL1040517)
EC50
1995.26±n/a nM
Citation
 Evans, KA; Budzik, BW; Ross, SA; Wisnoski, DD; Jin, J; Rivero, RA; Vimal, M; Szewczyk, GR; Jayawickreme, C; Moncol, DL; Rimele, TJ; Armour, SL; Weaver, SP; Griffin, RJ; Tadepalli, SM; Jeune, MR; Shearer, TW; Chen, ZB; Chen, L; Anderson, DL; Becherer, JD; De Los Frailes, M; Colilla, FJ Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. J Med Chem 52:7962-5 (2009) [PubMed]  Article 
Target
Name:
G-protein coupled bile acid receptor 1
Synonyms:
GPBAR_RAT | Gpbar1 | M-BAR | Membrane-type receptor for bile acids | Tgr5
Type:
PROTEIN
Mol. Mass.:
35808.84
Organism:
Rattus norvegicus
Description:
ChEMBL_943954
Residue:
329
Sequence:
MMSHNTTELSAIPRGVQELSLVLASLIVIANLLLALGIVLDRHLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNRSHQGYWSCLLLHLAPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWISSLLFASLPALGWNHWSPGANCSSQAIFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHHQLREIRRLERAVCRDAPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPVTLLSLISLGSASAAVVPVAMGLGDQRYTAPWRTAAQRWLQVLRGRPKRANPGPSTAYHSSSQCSTDLDLN
  
Inhibitor
Name:
BDBM50414954
Synonyms:
CHEMBL575966
Type:
Small organic molecule
Emp. Form.:
C18H14Cl2N2O2
Mol. Mass.:
361.222
SMILES:
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: