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PubMed code 26988304

Compile data set for download or QSAR
Found 12 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 delta


(Homo sapiens (Human))		BDBM50160401
PNG
(CHEMBL3787648)
Show SMILES OCCP(O)(=O)OCCC#CC#CCCCCCC\C=C\I
Show InChI InChI=1S/C16H24IO4P/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-15-21-22(19,20)16-14-18/h11,13,18H,1-3,5,7,9,12,14-16H2,(H,19,20)/b13-11+
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n/an/an/an/a 24n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR delta by cell based cotransfection assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160403
PNG
(CHEMBL3786754)
Show SMILES Cc1cc(SCc2cnc(s2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C20H16F3NO3S2/c1-12-8-15(6-7-17(12)27-10-18(25)26)28-11-16-9-24-19(29-16)13-2-4-14(5-3-13)20(21,22)23/h2-9H,10-11H2,1H3,(H,25,26)
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n/an/an/an/a 1.10n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR delta by cell based reporter assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160400
PNG
(CHEMBL3786680)
Show SMILES OCOP(O)(=O)OCCC#CC#CCCCCCC\C=C\I
Show InChI InChI=1S/C15H22IO5P/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-22(18,19)21-15-17/h11,13,17H,1-3,5,7,9,12,14-15H2,(H,18,19)/b13-11+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160405
PNG
(CHEMBL3786150)
Show SMILES CCOC(=O)CCO
Show InChI InChI=1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160408
PNG
(CHEMBL3785872)
Show SMILES CCOP(O)(=O)CCO
Show InChI InChI=1S/C4H11O4P/c1-2-8-9(6,7)4-3-5/h5H,2-4H2,1H3,(H,6,7)
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n/an/an/an/a 78n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160406
PNG
(CHEMBL3786626)
Show SMILES CCOP(=O)(CCO)OCC
Show InChI InChI=1S/C6H15O4P/c1-3-9-11(8,6-5-7)10-4-2/h7H,3-6H2,1-2H3
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n/an/an/an/a 112n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160400
PNG
(CHEMBL3786680)
Show SMILES OCOP(O)(=O)OCCC#CC#CCCCCCC\C=C\I
Show InChI InChI=1S/C15H22IO5P/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-22(18,19)21-15-17/h11,13,17H,1-3,5,7,9,12,14-15H2,(H,18,19)/b13-11+
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n/an/an/an/a>10n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR delta by cell based cotransfection assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160402
PNG
(CHEMBL3787155)
Show SMILES C[C@H]1CN(C[C@@H](C)N1S(=O)(=O)c1cccc2C[C@@H](Cc12)C(O)=O)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H25F3N2O5S/c1-14-12-27(18-6-8-19(9-7-18)33-23(24,25)26)13-15(2)28(14)34(31,32)21-5-3-4-16-10-17(22(29)30)11-20(16)21/h3-9,14-15,17H,10-13H2,1-2H3,(H,29,30)/t14-,15+,17-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin)

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160407
PNG
(CHEBI:1159 | CHEMBL1229938)
Show SMILES OCCP(O)(O)=O
Show InChI InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
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KEGG
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n/an/an/an/a>1.00E+5n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160401
PNG
(CHEMBL3787648)
Show SMILES OCCP(O)(=O)OCCC#CC#CCCCCCC\C=C\I
Show InChI InChI=1S/C16H24IO4P/c17-13-11-9-7-5-3-1-2-4-6-8-10-12-15-21-22(19,20)16-14-18/h11,13,18H,1-3,5,7,9,12,14-16H2,(H,19,20)/b13-11+
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n/an/an/an/a 24n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160404
PNG
(CHEMBL3786533)
Show SMILES Cc1cc(SCc2cnc(s2)-c2ccc(c(F)c2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C20H15F4NO3S2/c1-11-6-13(3-5-17(11)28-9-18(26)27)29-10-14-8-25-19(30-14)12-2-4-15(16(21)7-12)20(22,23)24/h2-8H,9-10H2,1H3,(H,26,27)
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n/an/an/an/a 1n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR delta by cell based reporter assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50160404
PNG
(CHEMBL3786533)
Show SMILES Cc1cc(SCc2cnc(s2)-c2ccc(c(F)c2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C20H15F4NO3S2/c1-11-6-13(3-5-17(11)28-9-18(26)27)29-10-14-8-25-19(30-14)12-2-4-15(16(21)7-12)20(22,23)24/h2-8H,9-10H2,1H3,(H,26,27)
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n/an/an/an/a 1n/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay

Bioorg Med Chem Lett 26: 1889-93 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.028
BindingDB Entry DOI: 10.7270/Q2NK3GZV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%