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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50085041'   
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


(Mus musculus)
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 530n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 21n/an/an/an/a



Universit£"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-PPARdelta ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay


Eur J Med Chem 89: 817-25 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.083
BindingDB Entry DOI: 10.7270/Q2862J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 125n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Activity at PPARbeta/delta by luciferase reporter gene transactivation assay in COS7 cells


Bioorg Med Chem Lett 16: 4528-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.028
BindingDB Entry DOI: 10.7270/Q28915HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 39n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assay


J Med Chem 59: 61-81 (2016)


BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/a 76n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 21n/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivatio...


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 39n/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARdelta ligand binding domain transfected in african green monkey COS7 cells by luciferase reporter gene assay


J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 640n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/a 0.430n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL




Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 20n/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 650n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 6681-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.099
BindingDB Entry DOI: 10.7270/Q28C9XCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)