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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 = 'BDBM50386790'   
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))
BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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MCE
PC cid
PC sid
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Guangdong Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFAR4 expressed in CHO cells assessed as beta-arrestin recruitment after 90 mins by luminescence assay


Bioorg Med Chem 25: 6647-6652 (2017)


Article DOI: 10.1016/j.bmc.2017.10.040
BindingDB Entry DOI: 10.7270/Q2Z3226M
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 expressed in CHO cells assessed as calcium influx after 30 mins by FLIPR assay


ACS Med Chem Lett 1: 290-294 (2010)


Article DOI: 10.1021/ml1000855
BindingDB Entry DOI: 10.7270/Q29G5NZJ
More data for this
Ligand-Target Pair