Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50437886
Substrate
n/a
Meas. Tech.
ChEMBL_974031 (CHEMBL2410509)
EC50
1600±n/a nM
Citation
 Dehmlow, H; Alvarez Sánchez, R; Bachmann, S; Bissantz, C; Bliss, F; Conde-Knape, K; Graf, M; Martin, RE; Obst Sander, U; Raab, S; Richter, HG; Sewing, S; Sprecher, U; Ullmer, C; Mattei, P Discovery and optimisation of 1-hydroxyimino-3,3-diphenylpropanes, a new class of orally active GPBAR1 (TGR5) agonists. Bioorg Med Chem Lett 23:4627-32 (2013) [PubMed]  Article 
Target
Name:
G-protein coupled bile acid receptor 1
Synonyms:
GPBAR_MOUSE | Gpbar1 | M-BAR | Membrane-type receptor for bile acids | Tgr5
Type:
PROTEIN
Mol. Mass.:
35665.78
Organism:
Mus musculus
Description:
ChEMBL_1475560
Residue:
329
Sequence:
MMTPNSTELSAIPMGVLGLSLALASLIVIANLLLALGIALDRHLRSPPAGCFFLSLLLAGLLTGLALPMLPGLWSRNHQGYWSCLLLHLTPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWVSSLFFASLPALGWNHWSPDANCSSQAVFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHRQLCEIRRLERAVCRDVPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPGTLLSLISLGSTSAAAVPVAMGLGDQRYTAPWRTAAQRCLRVLRGRAKRDNPGPSTAYHTSSQCSIDLDLN
  
Inhibitor
Name:
BDBM50437886
Synonyms:
CHEMBL2407947
Type:
Small organic molecule
Emp. Form.:
C21H22N4O
Mol. Mass.:
346.4256
SMILES:
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccn1
Structure:
Search PDB for entries with ligand similarity: