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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 = 'BDBM50527494'   
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))
BDBM50527494
PNG
(CHEMBL4443269)
Show SMILES CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,13|
Show InChI InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.57E+4n/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
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50527494
PNG
(CHEMBL4443269)
Show SMILES CC1=C(C(\C=C\c2ccccc2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C |t:1,13|
Show InChI InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 724n/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