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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 = 'BDBM50527479'   
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))
BDBM50527479
PNG
(CHEMBL4517214)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(Br)cc1)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C24H23BrN2O2/c1-14-6-3-4-7-18(14)27-24(29)21-15(2)26-19-8-5-9-20(28)23(19)22(21)16-10-12-17(25)13-11-16/h3-4,6-7,10-13,22,26H,5,8-9H2,1-2H3,(H,27,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.72E+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))
BDBM50527479
PNG
(CHEMBL4517214)
Show SMILES CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(Br)cc1)C(=O)Nc1ccccc1C |t:1,4|
Show InChI InChI=1S/C24H23BrN2O2/c1-14-6-3-4-7-18(14)27-24(29)21-15(2)26-19-8-5-9-20(28)23(19)22(21)16-10-12-17(25)13-11-16/h3-4,6-7,10-13,22,26H,5,8-9H2,1-2H3,(H,27,29)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.62E+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 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