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Compile Data Set for Download or QSAR

Found 184 hits Enz. Inhib. hit(s) with all data for entry = 50004866   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21792
PNG
(2-[(1S)-5-{3-[4-(4-tert-butyl-1,3-thiazol-2-yl)-2-...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(C)(C)C |r|
Show InChI InChI=1S/C30H37NO4S/c1-5-7-22-16-23(29-31-27(19-36-29)30(2,3)4)10-13-26(22)35-15-6-14-34-24-11-12-25-20(17-24)8-9-21(25)18-28(32)33/h10-13,16-17,19,21H,5-9,14-15,18H2,1-4H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 9.09E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21824
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-y...)
Show SMILES CCOc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C27H31NO6S/c1-4-32-26-17(2)35-27(28-26)20-8-11-23(24(15-20)31-3)34-13-5-12-33-21-9-10-22-18(14-21)6-7-19(22)16-25(29)30/h8-11,14-15,19H,4-7,12-13,16H2,1-3H3,(H,29,30)/t19-/m0/s1
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n/an/an/an/a 1.67E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21812
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO6S/c1-3-5-20-14-21(27-29-17(2)26(36-27)28(32)33)8-11-24(20)35-13-4-12-34-22-9-10-23-18(15-22)6-7-19(23)16-25(30)31/h8-11,14-15,19H,3-7,12-13,16H2,1-2H3,(H,30,31)(H,32,33)/t19-/m0/s1
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n/an/an/an/a 4.27E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21777
PNG
(2-[(1S)-5-(3-{2-methyl-4-[3-(trifluoromethyl)-1,2,...)
Show SMILES Cc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(ns1)C(F)(F)F |r|
Show InChI InChI=1S/C24H23F3N2O4S/c1-14-11-17(22-28-23(29-34-22)24(25,26)27)5-8-20(14)33-10-2-9-32-18-6-7-19-15(12-18)3-4-16(19)13-21(30)31/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/an/an/a 1.92E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21776
PNG
(2-[(1S)-5-{3-[2-chloro-4-(4H-1,2,4-triazol-4-yl)ph...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3Cl)-n3cnnc3)ccc12 |r|
Show InChI InChI=1S/C22H22ClN3O4/c23-20-12-17(26-13-24-25-14-26)4-7-21(20)30-9-1-8-29-18-5-6-19-15(10-18)2-3-16(19)11-22(27)28/h4-7,10,12-14,16H,1-3,8-9,11H2,(H,27,28)/t16-/m0/s1
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n/an/an/an/a 4.48E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21789
PNG
(2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)phenoxy]...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C25H27NO4S/c1-2-20-16-31-25(26-20)17-6-8-21(9-7-17)29-12-3-13-30-22-10-11-23-18(14-22)4-5-19(23)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1
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n/an/an/an/a 7.81E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21814
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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n/an/an/an/a 1.15E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21792
PNG
(2-[(1S)-5-{3-[4-(4-tert-butyl-1,3-thiazol-2-yl)-2-...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(C)(C)C |r|
Show InChI InChI=1S/C30H37NO4S/c1-5-7-22-16-23(29-31-27(19-36-29)30(2,3)4)10-13-26(22)35-15-6-14-34-24-11-12-25-20(17-24)8-9-21(25)18-28(32)33/h10-13,16-17,19,21H,5-9,14-15,18H2,1-4H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 5.62E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21763
PNG
(2-[(1S)-5-{3-[4-(pyrimidin-5-yl)phenoxy]propoxy}-2...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cncnc3)ccc12 |r|
Show InChI InChI=1S/C24H24N2O4/c27-24(28)13-19-3-2-18-12-22(8-9-23(18)19)30-11-1-10-29-21-6-4-17(5-7-21)20-14-25-16-26-15-20/h4-9,12,14-16,19H,1-3,10-11,13H2,(H,27,28)/t19-/m0/s1
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Article
n/an/an/an/a 1.05E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21774
PNG
(2-[(1S)-5-{3-[4-(1H-1,2,4-triazol-1-yl)phenoxy]pro...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-n3cncn3)ccc12 |r|
Show InChI InChI=1S/C22H23N3O4/c26-22(27)13-17-3-2-16-12-20(8-9-21(16)17)29-11-1-10-28-19-6-4-18(5-7-19)25-15-23-14-24-25/h4-9,12,14-15,17H,1-3,10-11,13H2,(H,26,27)/t17-/m0/s1
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n/an/an/an/a 1.82E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21761
PNG
(2-[(1S)-5-[3-(3-methylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES Cc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
Show InChI InChI=1S/C21H24O4/c1-15-4-2-5-18(12-15)24-10-3-11-25-19-8-9-20-16(13-19)6-7-17(20)14-21(22)23/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 1.26E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21819
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-1,3-thiazol-2-yl)-2-prop...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OCC)cs1 |r|
Show InChI InChI=1S/C28H33NO5S/c1-3-6-21-15-22(28-29-26(18-35-28)32-4-2)9-12-25(21)34-14-5-13-33-23-10-11-24-19(16-23)7-8-20(24)17-27(30)31/h9-12,15-16,18,20H,3-8,13-14,17H2,1-2H3,(H,30,31)/t20-/m0/s1
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n/an/an/an/a 5.00E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21804
PNG
(2-[(1S)-5-[3-(2-methoxy-4-{5H,6H,7H-pyrano[2,3-d][...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2OCCCc2s1 |r|
Show InChI InChI=1S/C27H29NO6S/c1-31-23-15-19(27-28-26-24(35-27)4-2-11-34-26)7-10-22(23)33-13-3-12-32-20-8-9-21-17(14-20)5-6-18(21)16-25(29)30/h7-10,14-15,18H,2-6,11-13,16H2,1H3,(H,29,30)/t18-/m0/s1
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n/an/an/an/a 7.69E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21797
PNG
(2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazo...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3nc4CCCc4s3)ccc12 |r|
Show InChI InChI=1S/C26H27NO4S/c28-25(29)16-19-6-5-18-15-21(11-12-22(18)19)31-14-2-13-30-20-9-7-17(8-10-20)26-27-23-3-1-4-24(23)32-26/h7-12,15,19H,1-6,13-14,16H2,(H,28,29)/t19-/m0/s1
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n/an/an/an/a 7.69E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21788
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(4-methyl-1,3-thiazol-2-...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)cs1 |r|
Show InChI InChI=1S/C25H27NO5S/c1-16-15-32-25(26-16)19-6-9-22(23(13-19)29-2)31-11-3-10-30-20-7-8-21-17(12-20)4-5-18(21)14-24(27)28/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 3.70E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21767
PNG
(2-[(1S)-5-{3-[2-propyl-4-(trifluoromethyl)phenoxy]...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H27F3O4/c1-2-4-18-13-19(24(25,26)27)7-10-22(18)31-12-3-11-30-20-8-9-21-16(14-20)5-6-17(21)15-23(28)29/h7-10,13-14,17H,2-6,11-12,15H2,1H3,(H,28,29)/t17-/m0/s1
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n/an/an/an/a 8.77E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21808
PNG
(2-[(1S)-5-{3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-y...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(C)=O |r|
Show InChI InChI=1S/C27H29NO6S/c1-16-26(17(2)29)35-27(28-16)20-7-10-23(24(14-20)32-3)34-12-4-11-33-21-8-9-22-18(13-21)5-6-19(22)15-25(30)31/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,30,31)/t19-/m0/s1
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Article
n/an/an/an/a 1.79E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21795
PNG
(2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phe...)
Show SMILES Cc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C25H27NO4S/c1-16-17(2)31-25(26-16)18-6-8-21(9-7-18)29-12-3-13-30-22-10-11-23-19(14-22)4-5-20(23)15-24(27)28/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,27,28)/t20-/m0/s1
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Article
n/an/an/an/a 8.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21780
PNG
(2-[(1S)-5-{3-[4-(1H-indol-6-yl)phenoxy]propoxy}-2,...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc4cc[nH]c4c3)ccc12 |r|
Show InChI InChI=1S/C28H27NO4/c30-28(31)18-23-5-4-22-16-25(10-11-26(22)23)33-15-1-14-32-24-8-6-19(7-9-24)21-3-2-20-12-13-29-27(20)17-21/h2-3,6-13,16-17,23,29H,1,4-5,14-15,18H2,(H,30,31)/t23-/m0/s1
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n/an/an/an/a 1.52E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21771
PNG
(2-[(1S)-5-[3-(4-ethyl-2-methoxyphenoxy)propoxy]-2,...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C23H28O5/c1-3-16-5-10-21(22(13-16)26-2)28-12-4-11-27-19-8-9-20-17(14-19)6-7-18(20)15-23(24)25/h5,8-10,13-14,18H,3-4,6-7,11-12,15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/an/a 3.70E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21761
PNG
(2-[(1S)-5-[3-(3-methylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES Cc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
Show InChI InChI=1S/C21H24O4/c1-15-4-2-5-18(12-15)24-10-3-11-25-19-8-9-20-16(13-19)6-7-17(20)14-21(22)23/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 1.79E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21823
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-y...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OCC)c(C)s1 |r|
Show InChI InChI=1S/C29H35NO5S/c1-4-7-22-16-23(29-30-28(33-5-2)19(3)36-29)10-13-26(22)35-15-6-14-34-24-11-12-25-20(17-24)8-9-21(25)18-27(31)32/h10-13,16-17,21H,4-9,14-15,18H2,1-3H3,(H,31,32)/t21-/m0/s1
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n/an/an/an/a 1.64E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21781
PNG
(2-[(1S)-5-{3-[4-(pyridin-3-yl)phenoxy]propoxy}-2,3...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cccnc3)ccc12 |r|
Show InChI InChI=1S/C25H25NO4/c27-25(28)16-20-5-4-19-15-23(10-11-24(19)20)30-14-2-13-29-22-8-6-18(7-9-22)21-3-1-12-26-17-21/h1,3,6-12,15,17,20H,2,4-5,13-14,16H2,(H,27,28)/t20-/m0/s1
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n/an/an/an/a 1.82E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21818
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-1,3-thiazol-2-yl)phenoxy...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C25H27NO5S/c1-2-29-23-16-32-25(26-23)17-6-8-20(9-7-17)30-12-3-13-31-21-10-11-22-18(14-21)4-5-19(22)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1
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n/an/an/an/a 1.00E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21763
PNG
(2-[(1S)-5-{3-[4-(pyrimidin-5-yl)phenoxy]propoxy}-2...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cncnc3)ccc12 |r|
Show InChI InChI=1S/C24H24N2O4/c27-24(28)13-19-3-2-18-12-22(8-9-23(18)19)30-11-1-10-29-21-6-4-17(5-7-21)20-14-25-16-26-15-20/h4-9,12,14-16,19H,1-3,10-11,13H2,(H,27,28)/t19-/m0/s1
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n/an/an/an/a 1.37E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21818
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-1,3-thiazol-2-yl)phenoxy...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C25H27NO5S/c1-2-29-23-16-32-25(26-23)17-6-8-20(9-7-17)30-12-3-13-31-21-10-11-22-18(14-21)4-5-19(22)15-24(27)28/h6-11,14,16,19H,2-5,12-13,15H2,1H3,(H,27,28)/t19-/m0/s1
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n/an/an/an/a 8.33E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21756
PNG
(2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc12 |r|
Show InChI InChI=1S/C21H21F3O5/c22-21(23,24)29-17-6-4-16(5-7-17)27-10-1-11-28-18-8-9-19-14(12-18)2-3-15(19)13-20(25)26/h4-9,12,15H,1-3,10-11,13H2,(H,25,26)/t15-/m0/s1
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n/an/an/an/a 1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21775
PNG
(2-[(1S)-5-{3-[2-acetamido-4-(1H-1,2,3-triazol-1-yl...)
Show SMILES CC(=O)Nc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-n1ccnn1 |r|
Show InChI InChI=1S/C24H26N4O5/c1-16(29)26-22-15-19(28-10-9-25-27-28)5-8-23(22)33-12-2-11-32-20-6-7-21-17(13-20)3-4-18(21)14-24(30)31/h5-10,13,15,18H,2-4,11-12,14H2,1H3,(H,26,29)(H,30,31)/t18-/m0/s1
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n/an/an/an/a 2.72E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21781
PNG
(2-[(1S)-5-{3-[4-(pyridin-3-yl)phenoxy]propoxy}-2,3...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cccnc3)ccc12 |r|
Show InChI InChI=1S/C25H25NO4/c27-25(28)16-20-5-4-19-15-23(10-11-24(19)20)30-14-2-13-29-22-8-6-18(7-9-22)21-3-1-12-26-17-21/h1,3,6-12,15,17,20H,2,4-5,13-14,16H2,(H,27,28)/t20-/m0/s1
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n/an/an/an/a 4.35E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21813
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-24(26(30)31)35-25(27-15)18-6-9-21(22(13-18)32-2)34-11-3-10-33-19-7-8-20-16(12-19)4-5-17(20)14-23(28)29/h6-9,12-13,17H,3-5,10-11,14H2,1-2H3,(H,28,29)(H,30,31)/t17-/m0/s1
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n/an/an/an/a 1.00E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
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n/an/an/an/a 3.06E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21807
PNG
(2-[(1S)-5-{3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-y...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(C)=O |r|
Show InChI InChI=1S/C29H33NO5S/c1-4-6-22-15-23(29-30-18(2)28(36-29)19(3)31)9-12-26(22)35-14-5-13-34-24-10-11-25-20(16-24)7-8-21(25)17-27(32)33/h9-12,15-16,21H,4-8,13-14,17H2,1-3H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 5.89E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21796
PNG
(2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(C)s1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-16-17(2)33-26(27-16)20-7-10-23(24(14-20)30-3)32-12-4-11-31-21-8-9-22-18(13-21)5-6-19(22)15-25(28)29/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,28,29)/t19-/m0/s1
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n/an/an/an/a 2.50E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21780
PNG
(2-[(1S)-5-{3-[4-(1H-indol-6-yl)phenoxy]propoxy}-2,...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc4cc[nH]c4c3)ccc12 |r|
Show InChI InChI=1S/C28H27NO4/c30-28(31)18-23-5-4-22-16-25(10-11-26(22)23)33-15-1-14-32-24-8-6-19(7-9-24)21-3-2-20-12-13-29-27(20)17-21/h2-3,6-13,16-17,23,29H,1,4-5,14-15,18H2,(H,30,31)/t23-/m0/s1
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n/an/an/an/a 6.67E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21790
PNG
(2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)-2-propy...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CC)cs1 |r|
Show InChI InChI=1S/C28H33NO4S/c1-3-6-21-15-22(28-29-23(4-2)18-34-28)9-12-26(21)33-14-5-13-32-24-10-11-25-19(16-24)7-8-20(25)17-27(30)31/h9-12,15-16,18,20H,3-8,13-14,17H2,1-2H3,(H,30,31)/t20-/m0/s1
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n/an/an/an/a 2.24E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 1.62E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21807
PNG
(2-[(1S)-5-{3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-y...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(C)=O |r|
Show InChI InChI=1S/C29H33NO5S/c1-4-6-22-15-23(29-30-18(2)28(36-29)19(3)31)9-12-26(22)35-14-5-13-34-24-10-11-25-20(16-24)7-8-21(25)17-27(32)33/h9-12,15-16,21H,4-8,13-14,17H2,1-3H3,(H,32,33)/t21-/m0/s1
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n/an/an/an/a 5.56E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21755
PNG
(2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C(F)(F)F)ccc12 |r|
Show InChI InChI=1S/C21H21F3O4/c22-21(23,24)16-4-6-17(7-5-16)27-10-1-11-28-18-8-9-19-14(12-18)2-3-15(19)13-20(25)26/h4-9,12,15H,1-3,10-11,13H2,(H,25,26)/t15-/m0/s1
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n/an/an/an/a 1.82E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21822
PNG
(2-[(1S)-5-(3-{2-methoxy-4-[4-(propan-2-yloxy)-1,3-...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r|
Show InChI InChI=1S/C27H31NO6S/c1-17(2)34-25-16-35-27(28-25)20-7-10-23(24(14-20)31-3)33-12-4-11-32-21-8-9-22-18(13-21)5-6-19(22)15-26(29)30/h7-10,13-14,16-17,19H,4-6,11-12,15H2,1-3H3,(H,29,30)/t19-/m0/s1
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n/an/an/an/a 3.33E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21817
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(4-methoxy-1,3-thiazol-2...)
Show SMILES COc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C25H27NO6S/c1-29-22-13-18(25-26-23(30-2)15-33-25)6-9-21(22)32-11-3-10-31-19-7-8-20-16(12-19)4-5-17(20)14-24(27)28/h6-9,12-13,15,17H,3-5,10-11,14H2,1-2H3,(H,27,28)/t17-/m0/s1
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n/an/an/an/a 3.33E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21805
PNG
(2-[(1S)-5-{3-[4-(1,3-benzothiazol-2-yl)-2-methoxyp...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H27NO5S/c1-32-25-16-20(28-29-23-5-2-3-6-26(23)35-28)9-12-24(25)34-14-4-13-33-21-10-11-22-18(15-21)7-8-19(22)17-27(30)31/h2-3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 1.92E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21800
PNG
(2-[(1S)-5-{3-[4-(4,5,6,7-tetrahydro-1,3-benzothiaz...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3nc4CCCCc4s3)ccc12 |r|
Show InChI InChI=1S/C27H29NO4S/c29-26(30)17-20-7-6-19-16-22(12-13-23(19)20)32-15-3-14-31-21-10-8-18(9-11-21)27-28-24-4-1-2-5-25(24)33-27/h8-13,16,20H,1-7,14-15,17H2,(H,29,30)/t20-/m0/s1
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n/an/an/an/a 4.55E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21805
PNG
(2-[(1S)-5-{3-[4-(1,3-benzothiazol-2-yl)-2-methoxyp...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C28H27NO5S/c1-32-25-16-20(28-29-23-5-2-3-6-26(23)35-28)9-12-24(25)34-14-4-13-33-21-10-11-22-18(15-21)7-8-19(22)17-27(30)31/h2-3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 1.90E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21800
PNG
(2-[(1S)-5-{3-[4-(4,5,6,7-tetrahydro-1,3-benzothiaz...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3nc4CCCCc4s3)ccc12 |r|
Show InChI InChI=1S/C27H29NO4S/c29-26(30)17-20-7-6-19-16-22(12-13-23(19)20)32-15-3-14-31-21-10-8-18(9-11-21)27-28-24-4-1-2-5-25(24)33-27/h8-13,16,20H,1-7,14-15,17H2,(H,29,30)/t20-/m0/s1
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n/an/an/an/a 2.56E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21788
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(4-methyl-1,3-thiazol-2-...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)cs1 |r|
Show InChI InChI=1S/C25H27NO5S/c1-16-15-32-25(26-16)19-6-9-22(23(13-19)29-2)31-11-3-10-30-20-7-8-21-17(12-20)4-5-18(21)14-24(27)28/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,27,28)/t18-/m0/s1
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n/an/an/an/a 3.73E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21781
PNG
(2-[(1S)-5-{3-[4-(pyridin-3-yl)phenoxy]propoxy}-2,3...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cccnc3)ccc12 |r|
Show InChI InChI=1S/C25H25NO4/c27-25(28)16-20-5-4-19-15-23(10-11-24(19)20)30-14-2-13-29-22-8-6-18(7-9-22)21-3-1-12-26-17-21/h1,3,6-12,15,17,20H,2,4-5,13-14,16H2,(H,27,28)/t20-/m0/s1
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n/an/an/an/a 5.92E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21825
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-5-ethyl-1,3-thiazol-2-yl...)
Show SMILES CCOc1nc(sc1CC)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C28H33NO6S/c1-4-25-27(33-5-2)29-28(36-25)20-9-12-23(24(16-20)32-3)35-14-6-13-34-21-10-11-22-18(15-21)7-8-19(22)17-26(30)31/h9-12,15-16,19H,4-8,13-14,17H2,1-3H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 5.62E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21819
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-1,3-thiazol-2-yl)-2-prop...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OCC)cs1 |r|
Show InChI InChI=1S/C28H33NO5S/c1-3-6-21-15-22(28-29-26(18-35-28)32-4-2)9-12-25(21)34-14-5-13-33-23-10-11-24-19(16-23)7-8-20(24)17-27(30)31/h9-12,15-16,18,20H,3-8,13-14,17H2,1-2H3,(H,30,31)/t20-/m0/s1
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n/an/an/an/a 2.45E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21813
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-24(26(30)31)35-25(27-15)18-6-9-21(22(13-18)32-2)34-11-3-10-33-19-7-8-20-16(12-19)4-5-17(20)14-23(28)29/h6-9,12-13,17H,3-5,10-11,14H2,1-2H3,(H,28,29)(H,30,31)/t17-/m0/s1
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n/an/an/an/a 1.00E+6n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21808
PNG
(2-[(1S)-5-{3-[4-(5-acetyl-4-methyl-1,3-thiazol-2-y...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(C)=O |r|
Show InChI InChI=1S/C27H29NO6S/c1-16-26(17(2)29)35-27(28-16)20-7-10-23(24(14-20)32-3)34-12-4-11-33-21-8-9-22-18(13-21)5-6-19(22)15-25(30)31/h7-10,13-14,19H,4-6,11-12,15H2,1-3H3,(H,30,31)/t19-/m0/s1
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Article
n/an/an/an/a 2.04E+7n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
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