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PubMed code 16451087

Compile data set for download or QSAR
Found 41 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 gamma


(Homo sapiens (Human))
BDBM50181911
PNG
((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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PubMed
n/an/a 50n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a 92n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 96n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181911
PNG
((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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n/an/a 113n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181902
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H22FNO5/c27-21-7-2-19(3-8-21)26(31)20-5-9-22(10-6-20)32-14-1-15-33-23-11-4-18-12-13-28(17-25(29)30)24(18)16-23/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a 116n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181903
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2n(CC(O)=O)ccc2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)36-16-3-15-35-25-10-11-26-21(18-25)13-14-31(26)19-28(32)33/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 129n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 152n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a 213n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181911
PNG
((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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n/an/a 223n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181907
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc2n(CC(O)=O)ccc12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-5-21-18-22(29(34)20-8-11-23(30)12-9-20)10-13-26(21)35-16-4-17-36-27-7-3-6-25-24(27)14-15-31(25)19-28(32)33/h3,6-15,18H,2,4-5,16-17,19H2,1H3,(H,32,33)
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n/an/a 414n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181903
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2n(CC(O)=O)ccc2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)36-16-3-15-35-25-10-11-26-21(18-25)13-14-31(26)19-28(32)33/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 470n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181904
PNG
(2-(5-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-24-19-27(11-12-28(24)31)36-16-4-15-35-26-10-9-22-17-25(8-7-23(22)18-26)30(34)21-5-2-1-3-6-21/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 484n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 496n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181905
PNG
(2-(4-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-8-27-26-15-13-25(33(37)23-9-4-3-5-10-23)21-24(26)14-16-31(27)39-20-7-19-38-30-12-6-11-29-28(30)17-18-34(29)22-32(35)36/h3-6,9-18,21H,2,7-8,19-20,22H2,1H3,(H,35,36)
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n/an/a 578n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181904
PNG
(2-(5-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-24-19-27(11-12-28(24)31)36-16-4-15-35-26-10-9-22-17-25(8-7-23(22)18-26)30(34)21-5-2-1-3-6-21/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 629n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181903
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2n(CC(O)=O)ccc2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)36-16-3-15-35-25-10-11-26-21(18-25)13-14-31(26)19-28(32)33/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 649n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181905
PNG
(2-(4-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-8-27-26-15-13-25(33(37)23-9-4-3-5-10-23)21-24(26)14-16-31(27)39-20-7-19-38-30-12-6-11-29-28(30)17-18-34(29)22-32(35)36/h3-6,9-18,21H,2,7-8,19-20,22H2,1H3,(H,35,36)
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n/an/a 824n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181908
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cccc12
Show InChI InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
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n/an/a 1.02E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181906
PNG
(2-(4-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
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PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181909
PNG
(2-(6-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)39-19-6-18-38-27-13-10-23-16-17-34(22-32(35)36)30(23)21-27/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181902
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H22FNO5/c27-21-7-2-19(3-8-21)26(31)20-5-9-22(10-6-20)32-14-1-15-33-23-11-4-18-12-13-28(17-25(29)30)24(18)16-23/h2-13,16H,1,14-15,17H2,(H,29,30)
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Article
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181909
PNG
(2-(6-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)39-19-6-18-38-27-13-10-23-16-17-34(22-32(35)36)30(23)21-27/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181907
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc2n(CC(O)=O)ccc12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-5-21-18-22(29(34)20-8-11-23(30)12-9-20)10-13-26(21)35-16-4-17-36-27-7-3-6-25-24(27)14-15-31(25)19-28(32)33/h3,6-15,18H,2,4-5,16-17,19H2,1H3,(H,32,33)
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Article
PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181906
PNG
(2-(4-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
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PubMed
n/an/a 2.71E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50181908
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cccc12
Show InChI InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
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PubMed
n/an/a 2.96E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181902
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H22FNO5/c27-21-7-2-19(3-8-21)26(31)20-5-9-22(10-6-20)32-14-1-15-33-23-11-4-18-12-13-28(17-25(29)30)24(18)16-23/h2-13,16H,1,14-15,17H2,(H,29,30)
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PubMed
n/an/a 3.15E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181907
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc2n(CC(O)=O)ccc12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-5-21-18-22(29(34)20-8-11-23(30)12-9-20)10-13-26(21)35-16-4-17-36-27-7-3-6-25-24(27)14-15-31(25)19-28(32)33/h3,6-15,18H,2,4-5,16-17,19H2,1H3,(H,32,33)
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PubMed
n/an/a 3.26E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181904
PNG
(2-(5-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-24-19-27(11-12-28(24)31)36-16-4-15-35-26-10-9-22-17-25(8-7-23(22)18-26)30(34)21-5-2-1-3-6-21/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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PubMed
n/an/a 4.43E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 4.49E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181909
PNG
(2-(6-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCOc2ccc3ccn(CC(O)=O)c3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)39-19-6-18-38-27-13-10-23-16-17-34(22-32(35)36)30(23)21-27/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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n/an/a 4.49E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181905
PNG
(2-(4-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-8-27-26-15-13-25(33(37)23-9-4-3-5-10-23)21-24(26)14-16-31(27)39-20-7-19-38-30-12-6-11-29-28(30)17-18-34(29)22-32(35)36/h3-6,9-18,21H,2,7-8,19-20,22H2,1H3,(H,35,36)
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n/an/a 5.38E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 7.62E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181908
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cccc12
Show InChI InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181906
PNG
(2-(4-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
PDB

UniProtKB/SwissProt

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%