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Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50003569
Substrate
n/a
Meas. Tech.
ChEMBL_1335566 (CHEMBL3239421)
EC50
1.000000±n/a nM
Citation
 Phillips, DP; Gao, W; Yang, Y; Zhang, G; Lerario, IK; Lau, TL; Jiang, J; Wang, X; Nguyen, DG; Bhat, BG; Trotter, C; Sullivan, H; Welzel, G; Landry, J; Chen, Y; Joseph, SB; Li, C; Gordon, WP; Richmond, W; Johnson, K; Bretz, A; Bursulaya, B; Pan, S; McNamara, P; Seidel, HM Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy. J Med Chem 57:3263-82 (2014) [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:
BDBM50003569
Synonyms:
CHEMBL3234868
Type:
Small organic molecule
Emp. Form.:
C30H29F3N6O4
Mol. Mass.:
594.5843
SMILES:
OC(=O)c1ccc(OC2CCN(CC2)c2cc(nc(n2)C(F)(F)F)N2CC[C@H]2C(=O)NCCc2ccc(cc2)C#N)cc1 |r|
Structure:
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