Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50266566
Substrate
n/a
Meas. Tech.
TGR5/CRE Luciferase Assay
EC50
4.80±n/a nM
Citation
 Charton, J; Deprez, B; Leroux, F; Staels, B; Muhr-Tailleux, A; Hennuyer, N; Lestavel, S; Lassalle, M; Dubanchet, B Imidazol- or 1,2,4-triazol-derivatives and their use US Patent  US10323016 Publication Date 6/18/2019 
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:
BDBM50266566
Synonyms:
CHEMBL4068227 | US10323016, Example 19
Type:
Small organic molecule
Emp. Form.:
C25H21F4N3O2S
Mol. Mass.:
503.512
SMILES:
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1F |(12.49,-10.11,;13.96,-9.63,;15.09,-10.67,;16.56,-10.2,;17.7,-11.23,;17.37,-12.73,;15.91,-13.21,;14.77,-12.18,;13.31,-12.65,;12.99,-14.15,;18.51,-13.76,;18.18,-15.27,;19.97,-13.3,;20.45,-11.83,;21.99,-11.84,;22.46,-13.31,;23.94,-13.8,;25.03,-12.71,;26.51,-13.15,;26.88,-14.63,;25.79,-15.72,;28.37,-15.07,;29.48,-14,;29.1,-12.5,;27.63,-12.08,;27.26,-10.58,;21.21,-14.21,;21.21,-15.75,;19.87,-16.51,;19.86,-18.05,;21.19,-18.83,;21.18,-20.37,;22.53,-18.06,;22.53,-16.52,;23.87,-15.76,)|
Structure:
Search PDB for entries with ligand similarity: