Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM50303484
Substrate
n/a
Meas. Tech.
ChEMBL_595939 (CHEMBL1041788)
EC50
>10000±n/a nM
Citation
Genet, C; Strehle, A; Schmidt, C; Boudjelal, G; Lobstein, A; Schoonjans, K; Souchet, M; Auwerx, J; Saladin, R; Wagner, A Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes. J Med Chem 53:178-90 (2010) [PubMed] Article
More Info.:
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:
BDBM50303484
Synonyms:
1-(2-(2-hydroxyethoxy)ethyl)-3-((1R,3alphaS,5alphaR,5betaR,9S,11alphaR)-icosahydro-9-hydroxy-5alpha,5beta,8,8,11alpha-pentamethyl-1-(prop-1-en-2-yl)-1H-cyclopenta[a]chrysen-3alpha-yl)urea | CHEMBL571649
Type:
Small organic molecule
Emp. Form.:
C34H58N2O4
Mol. Mass.:
558.8353
SMILES:
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NCCOCCO |r|