Reaction Details Report a problem with these data
Target
Free fatty acid receptor 1
Ligand
BDBM50521269
Substrate
n/a
Meas. Tech.
ChEMBL_1883825 (CHEMBL4385324)
EC50
0.940000±n/a nM
Citation
 Huang, H; Meegalla, SK; Lanter, JC; Winters, MP; Zhao, S; Littrell, J; Qi, J; Rady, B; Lee, PS; Liu, J; Martin, T; Lam, WW; Xu, F; Lim, HK; Wilde, T; Silva, J; Otieno, M; Pocai, A; Player, MR Discovery of a GPR40 Superagonist: The Impact of Aryl Propionic Acid ?-Fluorination. ACS Med Chem Lett 10:16-21 (2019) [PubMed]  Article 
Target
Name:
Free fatty acid receptor 1
Synonyms:
FFAR1 | FFAR1_HUMAN | G-protein Coupled Receptor 40 | GPR40
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
31473.32
Organism:
Homo sapiens (Human)
Description:
O14842
Residue:
300
Sequence:
MDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
  
Inhibitor
Name:
BDBM50521269
Synonyms:
CHEMBL4591657
Type:
Small organic molecule
Emp. Form.:
C26H31FO4
Mol. Mass.:
426.5203
SMILES:
COc1ccc(F)c(c1)[C@H]1CC[C@H](COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)CC1 |r,wU:9.9,wD:12.13,21.27,(3.3,-21.37,;4.64,-22.13,;5.97,-21.35,;5.96,-19.8,;7.3,-19.03,;8.63,-19.79,;9.96,-19.02,;8.63,-21.34,;7.31,-22.11,;9.96,-22.1,;11.29,-21.32,;12.62,-22.1,;12.62,-23.64,;13.95,-24.41,;15.29,-23.64,;16.62,-24.41,;16.61,-25.95,;17.95,-26.72,;19.28,-25.95,;19.28,-24.41,;17.95,-23.64,;20.61,-23.63,;21.95,-24.4,;23.28,-23.63,;24.62,-24.39,;23.28,-22.08,;20.61,-22.09,;21.37,-20.76,;19.83,-20.76,;11.29,-24.4,;9.96,-23.64,)|
Structure:
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