Reaction Details Report a problem with these data
Target
G-protein coupled bile acid receptor 1
Ligand
BDBM21680
Substrate
n/a
Meas. Tech.
ChEMBL_664649 (CHEMBL1260363)
IC50
5300±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:
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:
BDBM21680
Synonyms:
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid | (R)-4-((3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid | 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid | CGG | CHEMBL205596 | CHOLBAM | Cholate | Cholic Acid | cholicacid
Type:
Steroid
Emp. Form.:
C24H40O5
Mol. Mass.:
408.5714
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
Structure:
Search PDB for entries with ligand similarity: