Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50414955
Substrate
n/a
Meas. Tech.
ChEMBL_943955 (CHEMBL2339922)
EC50
24±n/a nM
Citation
 Piotrowski, DW; Futatsugi, K; Warmus, JS; Orr, ST; Freeman-Cook, KD; Londregan, AT; Wei, L; Jennings, SM; Herr, M; Coffey, SB; Jiao, W; Storer, G; Hepworth, D; Wang, J; Lavergne, SY; Chin, JE; Hadcock, JR; Brenner, MB; Wolford, AC; Janssen, AM; Roush, NS; Buxton, J; Hinchey, T; Kalgutkar, AS; Sharma, R; Flynn, DA Identification of Tetrahydropyrido[4,3-d]pyrimidine Amides as a New Class of Orally Bioavailable TGR5 Agonists. ACS Med Chem Lett 4:63-8 (2013) [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:
BDBM50414955
Synonyms:
CHEMBL576138
Type:
Small organic molecule
Emp. Form.:
C19H16Cl2N2O2
Mol. Mass.:
375.249
SMILES:
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: