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33 similar compounds to monomer 50306516

Compile data set for download or QSAR
Wt: 516.6
BDBM50306508
Wt: 548.6
BDBM50306513
Wt: 502.6
BDBM50306517
Wt: 581.4
BDBM147193
Purchase
Wt: 581.4
BDBM147198
Wt: 516.6
BDBM147216
Wt: 552.6
BDBM147217
Wt: 537.0
BDBM147218
Wt: 516.6
BDBM147275
Wt: 516.6
BDBM147276
Wt: 517.6
BDBM147277
Wt: 530.6
BDBM147292
Wt: 488.5
BDBM147247
Wt: 488.5
BDBM147248
Wt: 488.5
BDBM147249
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50306508,50306513,50306517,147193,147198,147216,147217,147218,147275,147276,147277,147292,147247,147248,147249   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147193
PNG
(US8957093, 1)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a 0.800n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147216
PNG
(US8957093, 25)
Show SMILES Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-22-23(2)36(21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)33(38)39)31-19-18-26(20-30(22)31)32(37)35-34(3,4)27-10-6-5-7-11-27/h5-20H,21H2,1-4H3,(H,35,37)(H,38,39)
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n/an/a 0.5n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147217
PNG
(US8957093, 26)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C37H32N2O3/c1-23-25(3)39(22-26-12-14-28(15-13-26)32-10-6-7-11-33(32)37(41)42)35-19-18-31(21-34(23)35)36(40)38-24(2)29-17-16-27-8-4-5-9-30(27)20-29/h4-21,24H,22H2,1-3H3,(H,38,40)(H,41,42)/t24-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147218
PNG
(US8957093, 27)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H29ClN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147247
PNG
(US8957093, 65)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3cccc(c3)-c3ccccc3C(O)=O)ccc2c1)c1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37/h3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37)
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n/an/a 6n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147248
PNG
(US8957093, 67)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3cccc(c3)-c3ccc(cc3)C(O)=O)ccc2c1)c1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37/h3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37)
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n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147249
PNG
(US8957093, 68)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccccc3-c3ccccc3C(O)=O)ccc2c1)c1ccccc1
Show InChI InChI=1S/C32H28N2O3/c1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37/h3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147275
PNG
(US8957093, 97)
Show SMILES CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147276
PNG
(US8957093, 98)
Show SMILES CC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147277
PNG
(US8957093, 99)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(N)cc1
Show InChI InChI=1S/C33H31N3O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19,34H2,1-3H3,(H,35,37)(H,38,39)/t21-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147292
PNG
(US8957093, 114)
Show SMILES CCC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C35H34N2O3/c1-4-10-32(27-11-6-5-7-12-27)36-34(38)28-19-20-33-31(21-28)23(2)24(3)37(33)22-25-15-17-26(18-16-25)29-13-8-9-14-30(29)35(39)40/h5-9,11-21,32H,4,10,22H2,1-3H3,(H,36,38)(H,39,40)/t32-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARdelta ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled GW2433 from human PPARalpha ligand binding domain expressed in Escherichia coli


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a 5.51E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/a 321n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306517
PNG
(4'-((2-methyl-6-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)27-18-17-26-19-22(2)35(31(26)20-27)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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n/an/an/an/a 163n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a 12n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50306508
PNG
(4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-i...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a 2n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306513
PNG
(4'-((2-methyl-3-(methylthio)-5-(1-phenylpropylcarb...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(SC)c2c1)c1ccccc1
Show InChI InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
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n/an/an/an/a 1n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM147198
PNG
(US8957093, 6)
Show SMILES C[C@@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C33H29BrN2O3/c1-20-22(3)36(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)35-21(2)24-12-15-27(34)16-13-24/h4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t21-/m1/s1
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair