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PubMed code 26475522

Compile data set for download or QSAR
Found 81 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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132509
PNG
(CHEMBL3633950)
Show SMILES O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C21H21N3O2/c25-21(14-17-8-3-1-4-9-17)23-12-7-13-24-20(23)15-18(22-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2
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n/an/an/an/a 372n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (7.5-41.1)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.5)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.3)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132590
PNG
(CHEMBL3634192)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)c(F)c12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-8-5-9-19-15(18)14(16)13(17-19)10-21-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
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n/an/an/an/a 3.24E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132598
PNG
(CHEMBL3634190)
Show SMILES CC(=O)N1CCCc2nc(COc3ccccc3)sc12
Show InChI InChI=1S/C15H16N2O2S/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
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n/an/an/an/a 888n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132609
PNG
(CHEMBL3633977)
Show SMILES CC1CCn2nc(COc3ccccc3)cc2N1C(C)=O
Show InChI InChI=1S/C16H19N3O2/c1-12-8-9-18-16(19(12)13(2)20)10-14(17-18)11-21-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3
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n/an/an/an/a 794n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132549
PNG
(CHEMBL3633963)
Show SMILES CC(=O)N1CCCn2nc(COc3ccc(F)cc3)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-7-2-8-19-15(18)9-13(17-19)10-21-14-5-3-12(16)4-6-14/h3-6,9H,2,7-8,10H2,1H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132665
PNG
(CHEMBL3633968)
Show SMILES CC(=O)N1CCCn2nc(CSc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3OS/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 3.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 360n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (5.6-59.1)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.6-1.5)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132518
PNG
(CHEMBL3633946)
Show SMILES CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H23N3O2/c1-18(2,3)17(22)20-10-7-11-21-16(20)12-14(19-21)13-23-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3
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n/an/an/an/a 882n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132546
PNG
(CHEMBL3633975)
Show SMILES CC(=O)N1CCCn2nc(CN3CCCc4ccccc34)cc12
Show InChI InChI=1S/C18H22N4O/c1-14(23)21-10-5-11-22-18(21)12-16(19-22)13-20-9-4-7-15-6-2-3-8-17(15)20/h2-3,6,8,12H,4-5,7,9-11,13H2,1H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 4% response at 3microM


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132545
PNG
(CHEMBL3633972)
Show SMILES CN(Cc1cc2N(CCCn2n1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C16H20N4O/c1-13(21)19-9-6-10-20-16(19)11-14(17-20)12-18(2)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3
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n/an/an/an/a 708n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132665
PNG
(CHEMBL3633968)
Show SMILES CC(=O)N1CCCn2nc(CSc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3OS/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 3.89E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132668
PNG
(CHEMBL3633965)
Show SMILES CC(=O)N1CCCn2nc(COc3cc(F)cc(c3)C#N)cc12
Show InChI InChI=1S/C16H15FN4O2/c1-11(22)20-3-2-4-21-16(20)8-14(19-21)10-23-15-6-12(9-18)5-13(17)7-15/h5-8H,2-4,10H2,1H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132553
PNG
(CHEMBL3633961)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3F)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3
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n/an/an/an/a 2.34E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132555
PNG
(CHEMBL3633960)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1nccs1
Show InChI InChI=1S/C17H16N4O2S/c22-17(16-18-7-10-24-16)20-8-4-9-21-15(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-7,10-11H,4,8-9,12H2
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n/an/an/an/a 257n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132559
PNG
(CHEMBL3633957)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c24-19(15-7-9-20-10-8-15)22-11-4-12-23-18(22)13-16(21-23)14-25-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132512
PNG
(CHEMBL3633947)
Show SMILES O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2
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n/an/an/an/a 525n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (3.9-7.2)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132518
PNG
(CHEMBL3633946)
Show SMILES CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H23N3O2/c1-18(2,3)17(22)20-10-7-11-21-16(20)12-14(19-21)13-23-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3
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n/an/an/an/a 891n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.3)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132557
PNG
(CHEMBL3633959)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccno1
Show InChI InChI=1S/C17H16N4O3/c22-17(15-7-8-18-24-15)20-9-4-10-21-16(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2
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n/an/an/an/a 2.78E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132519
PNG
(CHEMBL3633945)
Show SMILES CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
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n/an/an/an/a 1.71E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132591
PNG
(CHEMBL3634191)
Show SMILES CC(=O)N1CCCc2nc(COc3ccccc3)oc12
Show InChI InChI=1S/C15H16N2O3/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
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n/an/an/an/a 1.35E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132587
PNG
(CHEMBL3633954)
Show SMILES Fc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a 603n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from rat-human hybrid NPY5 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132588
PNG
(CHEMBL3633953)
Show SMILES Fc1cccc(c1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-16-7-4-6-15(12-16)20(25)23-10-5-11-24-19(23)13-17(22-24)14-26-18-8-2-1-3-9-18/h1-4,6-9,12-13H,5,10-11,14H2
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n/an/an/an/a 589n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132589
PNG
(CHEMBL3633952)
Show SMILES Fc1ccccc1C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-18-10-5-4-9-17(18)20(25)23-11-6-12-24-19(23)13-15(22-24)14-26-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2
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n/an/an/an/a 1.12E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from rat-human hybrid NPY5 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132510
PNG
(CHEMBL3633949)
Show SMILES O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C19H23N3O2/c23-19(15-7-4-5-8-15)21-11-6-12-22-18(21)13-16(20-22)14-24-17-9-2-1-3-10-17/h1-3,9-10,13,15H,4-8,11-12,14H2
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n/an/an/an/a 1.74E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.4)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132511
PNG
(CHEMBL3633948)
Show SMILES O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2
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n/an/an/an/a 1.23E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.8-2.4)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 363n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (6.1-9.8)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132546
PNG
(CHEMBL3633975)
Show SMILES CC(=O)N1CCCn2nc(CN3CCCc4ccccc34)cc12
Show InChI InChI=1S/C18H22N4O/c1-14(23)21-10-5-11-22-18(21)12-16(19-22)13-20-9-4-7-15-6-2-3-8-17(15)20/h2-3,6,8,12H,4-5,7,9-11,13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132552
PNG
(CHEMBL3633962)
Show SMILES CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/an/an/a 266n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132553
PNG
(CHEMBL3633961)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3F)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3
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n/an/an/an/a 2.37E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132562
PNG
(CHEMBL3633956)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccn1
Show InChI InChI=1S/C19H18N4O2/c24-19(17-9-4-5-10-20-17)22-11-6-12-23-18(22)13-15(21-23)14-25-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-gamma in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132587
PNG
(CHEMBL3633954)
Show SMILES Fc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a 596n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132588
PNG
(CHEMBL3633953)
Show SMILES Fc1cccc(c1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-16-7-4-6-15(12-16)20(25)23-10-5-11-24-19(23)13-17(22-24)14-26-18-8-2-1-3-9-18/h1-4,6-9,12-13H,5,10-11,14H2
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n/an/an/an/a 591n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132589
PNG
(CHEMBL3633952)
Show SMILES Fc1ccccc1C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18FN3O2/c21-18-10-5-4-9-17(18)20(25)23-11-6-12-24-19(23)13-15(22-24)14-26-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2
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n/an/an/an/a 1.13E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132509
PNG
(CHEMBL3633950)
Show SMILES O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C21H21N3O2/c25-21(14-17-8-3-1-4-9-17)23-12-7-13-24-20(23)15-18(22-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2
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n/an/an/an/a 378n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 25% response at 3 uM


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132510
PNG
(CHEMBL3633949)
Show SMILES O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C19H23N3O2/c23-19(15-7-4-5-8-15)21-11-6-12-22-18(21)13-16(20-22)14-24-17-9-2-1-3-10-17/h1-3,9-10,13,15H,4-8,11-12,14H2
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n/an/an/an/a 1.75E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132512
PNG
(CHEMBL3633947)
Show SMILES O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2
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n/an/an/an/a 559n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 360n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132610
PNG
(CHEMBL3633974)
Show SMILES CC(=O)N1CCCn2nc(CN3CCc4ccccc34)cc12
Show InChI InChI=1S/C17H20N4O/c1-13(22)20-8-4-9-21-17(20)11-15(18-21)12-19-10-7-14-5-2-3-6-16(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 30% response at 3 uM


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132611
PNG
(CHEMBL3633973)
Show SMILES CN(Cc1cc2N(CCCn2n1)C(C)=O)C1C2CC1C2 |(4.32,2.44,;4.95,1.38,;4.2,.04,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;-1.02,3.1,;.05,3.71,;-2.09,3.72,;6.5,1.41,;7.59,2.57,;8.26,1.4,;7.59,.28,;8.74,1.4,)|
Show InChI InChI=1S/C15H22N4O/c1-10(20)18-4-3-5-19-14(18)8-13(16-19)9-17(2)15-11-6-12(15)7-11/h8,11-12,15H,3-7,9H2,1-2H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132543
PNG
(CHEMBL3633971)
Show SMILES CC(=O)N1CCCn2nc(CNc3ccccc3)cc12
Show InChI InChI=1S/C15H18N4O/c1-12(20)18-8-5-9-19-15(18)10-14(17-19)11-16-13-6-3-2-4-7-13/h2-4,6-7,10,16H,5,8-9,11H2,1H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132667
PNG
(CHEMBL3633966)
Show SMILES CC(=O)N1CCCn2nc(COc3cccnc3)cc12
Show InChI InChI=1S/C14H16N4O2/c1-11(19)17-6-3-7-18-14(17)8-12(16-18)10-20-13-4-2-5-15-9-13/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 2% response at 3microM


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132669
PNG
(CHEMBL3633964)
Show SMILES CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C15H15F2N3O2/c1-10(21)19-3-2-4-20-15(19)8-13(18-20)9-22-14-6-11(16)5-12(17)7-14/h5-8H,2-4,9H2,1H3
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n/an/an/an/a 1.26E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132520
PNG
(CHEMBL3633944)
Show SMILES CCC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3
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n/an/an/an/a 331n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132559
PNG
(CHEMBL3633957)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c24-19(15-7-9-20-10-8-15)22-11-4-12-23-18(22)13-16(21-23)14-25-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132604
PNG
(CHEMBL3633979)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)nc12
Show InChI InChI=1S/C14H16N4O2/c1-11(19)17-8-5-9-18-14(17)15-13(16-18)10-20-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
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n/an/an/an/a 3.40E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132548
PNG
(CHEMBL3633976)
Show SMILES CC(=O)N1CCCn2nc(CN3CCOc4ccccc34)cc12
Show InChI InChI=1S/C17H20N4O2/c1-13(22)20-7-4-8-21-17(20)11-14(18-21)12-19-9-10-23-16-6-3-2-5-15(16)19/h2-3,5-6,11H,4,7-10,12H2,1H3
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n/an/an/an/a 724n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132552
PNG
(CHEMBL3633962)
Show SMILES CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/an/an/a 266n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132557
PNG
(CHEMBL3633959)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccno1
Show InChI InChI=1S/C17H16N4O3/c22-17(15-7-8-18-24-15)20-9-4-10-21-16(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2
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n/an/an/an/a 2.75E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132562
PNG
(CHEMBL3633956)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccn1
Show InChI InChI=1S/C19H18N4O2/c24-19(17-9-4-5-10-20-17)22-11-6-12-23-18(22)13-15(21-23)14-25-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2
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n/an/an/an/a<1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132508
PNG
(CHEMBL3633951)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
Show InChI InChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2
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n/an/an/an/a 617n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132545
PNG
(CHEMBL3633972)
Show SMILES CN(Cc1cc2N(CCCn2n1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C16H20N4O/c1-13(21)19-9-6-10-20-16(19)11-14(17-20)12-18(2)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3
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n/an/an/an/a 700n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132548
PNG
(CHEMBL3633976)
Show SMILES CC(=O)N1CCCn2nc(CN3CCOc4ccccc34)cc12
Show InChI InChI=1S/C17H20N4O2/c1-13(22)20-7-4-8-21-17(20)11-14(18-21)12-19-9-10-23-16-6-3-2-5-15(16)19/h2-3,5-6,11H,4,7-10,12H2,1H3
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n/an/an/an/a 725n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132508
PNG
(CHEMBL3633951)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
Show InChI InChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2
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n/an/an/an/a 610n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132607
PNG
(CHEMBL3633978)
Show SMILES CC(=O)N1C(CCn2nc(COc3ccccc3)cc12)c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c1-16(25)24-20(17-8-4-2-5-9-17)12-13-23-21(24)14-18(22-23)15-26-19-10-6-3-7-11-19/h2-11,14,20H,12-13,15H2,1H3
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n/an/an/an/a 5.37E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132666
PNG
(CHEMBL3633967)
Show SMILES CC(=O)N1CCCn2nc(COc3ccncc3)cc12
Show InChI InChI=1S/C14H16N4O2/c1-11(19)17-7-2-8-18-14(17)9-12(16-18)10-20-13-3-5-15-6-4-13/h3-6,9H,2,7-8,10H2,1H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132670
PNG
(CHEMBL3633958)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccco1
Show InChI InChI=1S/C18H17N3O3/c22-18(16-8-4-11-23-16)20-9-5-10-21-17(20)12-14(19-21)13-24-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13H2
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132668
PNG
(CHEMBL3633965)
Show SMILES CC(=O)N1CCCn2nc(COc3cc(F)cc(c3)C#N)cc12
Show InChI InChI=1S/C16H15FN4O2/c1-11(22)20-3-2-4-21-16(20)8-14(19-21)10-23-15-6-12(9-18)5-13(17)7-15/h5-8H,2-4,10H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132519
PNG
(CHEMBL3633945)
Show SMILES CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (13.9-29.7)


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50132507
PNG
(CHEMBL3633943)
Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132549
PNG
(CHEMBL3633963)
Show SMILES CC(=O)N1CCCn2nc(COc3ccc(F)cc3)cc12
Show InChI InChI=1S/C15H16FN3O2/c1-11(20)18-7-2-8-19-15(18)9-13(17-19)10-21-14-5-3-12(16)4-6-14/h3-6,9H,2,7-8,10H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132555
PNG
(CHEMBL3633960)
Show SMILES O=C(N1CCCn2nc(COc3ccccc3)cc12)c1nccs1
Show InChI InChI=1S/C17H16N4O2S/c22-17(16-18-7-10-24-16)20-8-4-9-21-15(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-7,10-11H,4,8-9,12H2
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n/an/an/an/a 257n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132612
PNG
(CHEMBL3633970)
Show SMILES CC(=O)N1CCCn2nc(CS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O3S/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-22(20,21)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132613
PNG
(CHEMBL3633969)
Show SMILES CC(=O)N1CCCn2nc(C[S+]([O-])c3ccccc3)cc12
Show InChI InChI=1S/C15H17N3O2S/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-21(20)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against human PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132669
PNG
(CHEMBL3633964)
Show SMILES CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C15H15F2N3O2/c1-10(21)19-3-2-4-20-15(19)8-13(18-20)9-22-14-6-11(16)5-12(17)7-14/h5-8H,2-4,9H2,1H3
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n/an/an/an/a 1.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132543
PNG
(CHEMBL3633971)
Show SMILES CC(=O)N1CCCn2nc(CNc3ccccc3)cc12
Show InChI InChI=1S/C15H18N4O/c1-12(20)18-8-5-9-19-15(18)10-14(17-19)11-16-13-6-3-2-4-7-13/h2-4,6-7,10,16H,5,8-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132586
PNG
(CHEMBL3633955)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18ClN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a 390n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132511
PNG
(CHEMBL3633948)
Show SMILES O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2
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n/an/an/an/a 1.22E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132520
PNG
(CHEMBL3633944)
Show SMILES CCC(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3
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n/an/an/an/a 332n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-alpha


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132601
PNG
(CHEMBL3634189)
Show SMILES CC(=O)N1CCCc2nc(COc3ccccc3)cn12
Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-9-5-8-15-16-13(10-18(15)17)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3
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n/an/an/an/a 780n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
In vitro binding affinity for PPAR-gamma


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132586
PNG
(CHEMBL3633955)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C20H18ClN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a 389n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin by chromogenic assay using Bzl-L-Arg-pNA as chromogenic substrate


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%