Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50327519
Substrate
n/a
Meas. Tech.
ChEMBL_664648 (CHEMBL1260362)
IC50
1100±n/a nM
Citation
 Herbert, MR; Siegel, DL; Staszewski, L; Cayanan, C; Banerjee, U; Dhamija, S; Anderson, J; Fan, A; Wang, L; Rix, P; Shiau, AK; Rao, TS; Noble, SA; Heyman, RA; Bischoff, E; Guha, M; Kabakibi, A; Pinkerton, AB Synthesis and SAR of 2-aryl-3-aminomethylquinolines as agonists of the bile acid receptor TGR5. Bioorg Med Chem Lett 20:5718-21 (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:
BDBM50327519
Synonyms:
1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-methoxybenzyl)methanamine | CHEMBL1258196
Type:
Small organic molecule
Emp. Form.:
C23H22N2O2S
Mol. Mass.:
390.498
SMILES:
COc1ccc(CNCc2cc3ccc(OC)cc3nc2-c2ccsc2)cc1
Structure:
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