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PubMed code 26731300

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50151924
PNG
(CHEMBL3781424)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#8])=O)c(-[#6]-[#6]-c2ccccc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H32O4/c1-17(2)11-14-21-20(16-13-19-9-7-6-8-10-19)23(26(28)29)24(27)22(25(21)30-5)15-12-18(3)4/h6-12,27H,13-16H2,1-5H3,(H,28,29)
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 700n/an/an/an/an/an/an/an/a



Max Planck Institute for Molecular Genetics

Curated by ChEMBL


Assay Description
Competitive binding affinity to PPARgamma (unknown origin) by TR-FRET assay

J Nat Prod 79: 2-12 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00072
BindingDB Entry DOI: 10.7270/Q2S184CQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50151924
PNG
(CHEMBL3781424)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#8])=O)c(-[#6]-[#6]-c2ccccc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H32O4/c1-17(2)11-14-21-20(16-13-19-9-7-6-8-10-19)23(26(28)29)24(27)22(25(21)30-5)15-12-18(3)4/h6-12,27H,13-16H2,1-5H3,(H,28,29)
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 5.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute for Molecular Genetics

Curated by ChEMBL


Assay Description
Competitive binding affinity to PPARbeta/delta (unknown origin) by TR-FRET assay

J Nat Prod 79: 2-12 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00072
BindingDB Entry DOI: 10.7270/Q2S184CQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50151924
PNG
(CHEMBL3781424)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#8])=O)c(-[#6]-[#6]-c2ccccc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H32O4/c1-17(2)11-14-21-20(16-13-19-9-7-6-8-10-19)23(26(28)29)24(27)22(25(21)30-5)15-12-18(3)4/h6-12,27H,13-16H2,1-5H3,(H,28,29)
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 9.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute for Molecular Genetics

Curated by ChEMBL


Assay Description
Competitive binding affinity to PPARalpha (unknown origin) by TR-FRET assay

J Nat Prod 79: 2-12 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00072
BindingDB Entry DOI: 10.7270/Q2S184CQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%