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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50192829'   
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))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 56n/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-PPARdelta LBD transfected in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 824-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00301
BindingDB Entry DOI: 10.7270/Q2WH2RZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 5.10n/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Transactivation of ProLink tagged human PPARdelta transfected in CHO-K1 cells assessed as interaction with EA labelled SRCP after 3 to 16 hrs by beta...


ACS Med Chem Lett 7: 824-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00301
BindingDB Entry DOI: 10.7270/Q2WH2RZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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US Patent
n/an/an/an/a 5.06n/an/an/an/a



Mitobridge, Inc.; Salk Institute for Biological Studies

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10188627 (2019)


BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 56n/an/an/an/a



Mitobridge, Inc.; Salk Institute for Biological Studies

US Patent


Assay Description
Cell Handling: PathHunter NHR cell lines were expanded from freezer stocks according to standard procedures. Cells were seeded in a total volume of 2...


US Patent US10188627 (2019)


BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 37n/an/an/an/a


TBA

Assay Description
Modulator activity at GAL4-fused human PPARdelta LBD (128 to residue at C-terminus) transfected in African green monkey CV1 cells assessed as recepto...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00287
BindingDB Entry DOI: 10.7270/Q2H998WR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 5n/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay


Bioorg Med Chem Lett 27: 5230-5234 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.037
BindingDB Entry DOI: 10.7270/Q21V5HJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 37n/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...


Bioorg Med Chem Lett 27: 5230-5234 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.037
BindingDB Entry DOI: 10.7270/Q21V5HJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/an/a 270n/an/an/an/a


TBA

Assay Description
Transactivation of mouse PPARdelta by cell-based luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.11.006
BindingDB Entry DOI: 10.7270/Q25B0531
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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TBA

Assay Description
Transactivation of GAL4-fused human PPARdelta LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.11.006
BindingDB Entry DOI: 10.7270/Q25B0531
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(CHEMBL3958704 | US10188627, Compound 8a)
Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
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n/an/an/a 57n/an/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PPARdelta (unknown origin) by SPR assay


Bioorg Med Chem Lett 27: 5230-5234 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.037
BindingDB Entry DOI: 10.7270/Q21V5HJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)