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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 3' and Ligand = 'BDBM50527514'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527514
PNG
(CHEMBL4439965)
Show SMILES CC(C)CC1C(C(=O)c2ccccc2)=C(C)NC2=C1C(=O)CCC2 |c:18,t:14|
Show InChI InChI=1S/C21H25NO2/c1-13(2)12-16-19(21(24)15-8-5-4-6-9-15)14(3)22-17-10-7-11-18(23)20(16)17/h4-6,8-9,13,16,22H,7,10-12H2,1-3H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of...


J Med Chem 63: 3577-3595 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02036
BindingDB Entry DOI: 10.7270/Q27H1P0M
More data for this
Ligand-Target Pair