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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 4' and Ligand = 'BDBM50196401'   
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 4


(Homo sapiens (Human))
BDBM50196401
PNG
(CHEMBL3971461)
Show SMILES Fc1cc(Oc2ccncc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13FN2O3S/c19-14-9-15(11-17(10-14)24-16-5-7-20-8-6-16)21-12-13-3-1-2-4-18(13)25(21,22)23/h1-11H,12H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human FFA4 expressed in human Flp-In T-REx293 cells by Fura2-AM dye based calcium mobilization assay


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50196401
PNG
(CHEMBL3971461)
Show SMILES Fc1cc(Oc2ccncc2)cc(c1)N1Cc2ccccc2S1(=O)=O
Show InChI InChI=1S/C18H13FN2O3S/c19-14-9-15(11-17(10-14)24-16-5-7-20-8-6-16)21-12-13-3-1-2-4-18(13)25(21,22)23/h1-11H,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at C-terminal YFP-tagged human FFA4 expressed in HEK293 cells in presence of coelentrazine h by BRET based beta-arrestin-2 interacti...


J Med Chem 59: 8868-8878 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00685
BindingDB Entry DOI: 10.7270/Q2C53NS2
More data for this
Ligand-Target Pair