Reaction Details  Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50428095
Substrate
n/a
Meas. Tech.
ChEMBL_943956 (CHEMBL2340400)
EC50
5620±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:
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:
BDBM50428095
Synonyms:
CHEMBL2331646
Type:
Small organic molecule
Emp. Form.:
C22H29N5O2
Mol. Mass.:
395.498
SMILES:
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Structure:
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