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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for monomerid = 50327103   
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 delta


(Homo sapiens (Human))
BDBM50327103
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1c(C)ncc(C(O)=O)c1C
Show InChI InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)
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n/an/an/an/a 76n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at human recombinant PPARdelta LBD expressed in HEK293 cells cotransfected with Gal4 assessed as beta-galactosidase activity...


Bioorg Med Chem 18: 7164-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.041
BindingDB Entry DOI: 10.7270/Q2862GN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50327103
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1c(C)ncc(C(O)=O)c1C
Show InChI InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)
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n/an/an/an/a 76n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at PPARdelta


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50327103
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1c(C)ncc(C(O)=O)c1C
Show InChI InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)
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n/an/an/an/a 4.20E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50327103
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1c(C)ncc(C(O)=O)c1C
Show InChI InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)
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n/an/an/an/a 4.20E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at human recombinant PPARalpha LBD expressed in HEK293 cells cotransfected with Gal4 assessed as beta-galactosidase activity...


Bioorg Med Chem 18: 7164-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.041
BindingDB Entry DOI: 10.7270/Q2862GN7
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50327103
PNG
(5-(4-Butoxy-3-{[2-fluoro-4-(trifluoromethyl)phenyl...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1c(C)ncc(C(O)=O)c1C
Show InChI InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)
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n/an/an/an/a 7.60E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116614
BindingDB Entry DOI: 10.7270/Q21Z48DS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)