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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 3' and Ligand = 'BDBM50527463'   
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))
BDBM50527463
PNG
(CHEMBL4545039)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1ccc(C)cc1 |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.37E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding meas...


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
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527463
PNG
(CHEMBL4545039)
Show SMILES CC1=C(C(c2ccco2)C2=C(CCCC2=O)N1)C(=O)Nc1ccc(C)cc1 |t:1,10|
Show InChI InChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-ind...


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