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Compile Data Set for Download or QSAR

Found 540 hits with Last Name = 'sudom' and Initial = 'a'   
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))
BDBM29882
PNG
(alkynyl ether, 24)
Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37)
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0.600n/an/an/a 2.00E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248569
PNG
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)
Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot


Bioorg Med Chem 16: 8922-31 (2008)


Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29881
PNG
(alkynyl ether, 23)
Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36)
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2n/an/an/a 220n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248569
PNG
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)
Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using variable substrate cortisol concentration by Lineweaver burk plot


Bioorg Med Chem 16: 8922-31 (2008)


Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29885
PNG
(alkynyl ether, 27)
Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37)
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4n/an/an/a 470n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29868
PNG
(alkynyl ether, 10)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O
Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)
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4n/an/an/a 54n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29879
PNG
(alkynyl ether, 21)
Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)
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5n/an/an/a 44n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29878
PNG
(alkynyl ether, 20)
Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35)
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6n/an/an/a 43n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29883
PNG
(alkynyl ether, 25)
Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r|
Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1
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6n/an/an/a 1.20E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29877
PNG
(alkynyl ether, 19)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12
Show InChI InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34)
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7n/an/an/a 52n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29867
PNG
(phenoxyacetic acid-ether, 9)
Show SMILES COCCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
Show InChI InChI=1S/C28H29F3O6S/c1-18-19(2)25(12-10-23(18)37-17-27(32)33)38-26-11-5-20(15-24(26)35-14-4-13-34-3)16-36-22-8-6-21(7-9-22)28(29,30)31/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,32,33)
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8n/an/an/a 1.90E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29884
PNG
(alkynyl ether, 26)
Show SMILES COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c1-37-16-4-5-17-38-27-18-21(19-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-20-30(35)36)24-6-2-3-7-25(24)28/h8-15,18H,2-3,6-7,16-17,19-20H2,1H3,(H,35,36)
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9n/an/an/a 340n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29869
PNG
(phenoxyacetic acid-ether, 11)
Show SMILES COCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
Show InChI InChI=1S/C27H27F3O6S/c1-17-18(2)24(11-9-22(17)36-16-26(31)32)37-25-10-4-19(14-23(25)34-13-12-33-3)15-35-21-7-5-20(6-8-21)27(28,29)30/h4-11,14H,12-13,15-16H2,1-3H3,(H,31,32)
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11n/an/an/a 1.70E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29891
PNG
(alkynyl ether, 33)
Show SMILES CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H28F3NO5S/c1-2-3-6-15-37-25-16-20(18-39-28-14-10-21(17-34-28)30(31,32)33)9-12-27(25)40-26-13-11-24(38-19-29(35)36)22-7-4-5-8-23(22)26/h9-14,16-17H,2,4-5,7-8,15,18-19H2,1H3,(H,35,36)
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11n/an/an/a 1.20E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29870
PNG
(phenoxyacetic acid-ether, 12)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O
Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32)
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16n/an/an/a 1.10E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29886
PNG
(alkynyl ether, 28)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12
Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40)
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16n/an/an/a 680n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29884
PNG
(alkynyl ether, 26)
Show SMILES COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c1-37-16-4-5-17-38-27-18-21(19-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-20-30(35)36)24-6-2-3-7-25(24)28/h8-15,18H,2-3,6-7,16-17,19-20H2,1H3,(H,35,36)
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20n/an/an/a 610n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29880
PNG
(alkynyl ether, 22)
Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37)
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22n/an/an/a 1.40E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29886
PNG
(alkynyl ether, 28)
Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12
Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40)
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25n/an/an/a 1.60E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29890
PNG
(alkynyl ether, 32)
Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34)
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28n/an/an/a 370n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29887
PNG
(alkynyl ether, 29)
Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36)
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30n/an/an/a 300n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29879
PNG
(alkynyl ether, 21)
Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36)
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33n/an/an/a 160n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29887
PNG
(alkynyl ether, 29)
Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36)
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35n/an/an/a 420n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29871
PNG
(phenoxyacetic acid-ether, 13)
Show SMILES Cc1cc(COc2cc(COc3ccc(cc3)C(F)(F)F)ccc2Sc2ccc(OCC(O)=O)c(C)c2C)no1
Show InChI InChI=1S/C29H26F3NO6S/c1-17-12-22(33-39-17)15-37-25-13-20(14-36-23-7-5-21(6-8-23)29(30,31)32)4-10-27(25)40-26-11-9-24(18(2)19(26)3)38-16-28(34)35/h4-13H,14-16H2,1-3H3,(H,34,35)
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35n/an/an/a 2.20E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29889
PNG
(alkynyl ether, 31)
Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H29ClO5S/c1-2-3-6-17-34-27-18-21(19-35-23-12-10-22(31)11-13-23)9-15-29(27)37-28-16-14-26(36-20-30(32)33)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,32,33)
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36n/an/an/a 350n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29872
PNG
(phenoxyacetic acid-ether, 14)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2cccnc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(12-10-25(19)39-18-29(35)36)40-28-11-5-21(14-26(28)38-17-22-4-3-13-34-15-22)16-37-24-8-6-23(7-9-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36)
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36n/an/an/a 2.90E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29889
PNG
(alkynyl ether, 31)
Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H29ClO5S/c1-2-3-6-17-34-27-18-21(19-35-23-12-10-22(31)11-13-23)9-15-29(27)37-28-16-14-26(36-20-30(32)33)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,32,33)
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39n/an/an/a 560n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29882
PNG
(alkynyl ether, 24)
Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37)
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43n/an/an/a>1.00E+4n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29885
PNG
(alkynyl ether, 27)
Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37)
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44n/an/an/a 1.40E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29873
PNG
(phenoxyacetic acid-ether, 15)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2ccncc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(10-8-25(19)39-18-29(35)36)40-28-9-3-22(15-26(28)38-16-21-11-13-34-14-12-21)17-37-24-6-4-23(5-7-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36)
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47n/an/an/a 4.10E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29874
PNG
(phenoxyacetic acid-ether, 16)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC2CCCO2)ccc1OCC(O)=O
Show InChI InChI=1S/C29H29F3O6S/c1-18-19(2)26(12-10-24(18)38-17-28(33)34)39-27-11-5-20(14-25(27)37-16-23-4-3-13-35-23)15-36-22-8-6-21(7-9-22)29(30,31)32/h5-12,14,23H,3-4,13,15-17H2,1-2H3,(H,33,34)
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70n/an/an/a 7.10E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29894
PNG
(alkynyl ether, 36)
Show SMILES CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C29H34O5S/c1-2-3-8-17-32-26-18-21(19-33-22-9-4-5-10-22)13-15-28(26)35-27-16-14-25(34-20-29(30)31)23-11-6-7-12-24(23)27/h13-16,18,22H,2,4-7,9-12,17,19-20H2,1H3,(H,30,31)
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76n/an/an/a 500n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29878
PNG
(alkynyl ether, 20)
Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35)
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77n/an/an/a 700n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29883
PNG
(alkynyl ether, 25)
Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r|
Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1
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79n/an/an/a 3.30E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29880
PNG
(alkynyl ether, 22)
Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37)
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84n/an/an/a 2.20E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29891
PNG
(alkynyl ether, 33)
Show SMILES CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H28F3NO5S/c1-2-3-6-15-37-25-16-20(18-39-28-14-10-21(17-34-28)30(31,32)33)9-12-27(25)40-26-13-11-24(38-19-29(35)36)22-7-4-5-8-23(22)26/h9-14,16-17H,2,4-5,7-8,15,18-19H2,1H3,(H,35,36)
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84n/an/an/a 490n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29895
PNG
(alkynyl ether, 37)
Show SMILES CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30)
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110n/an/an/a 390n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29888
PNG
(alkynyl ether, 30)
Show SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-8-17-37-27-18-21(19-38-26-12-7-6-11-24(26)31(32,33)34)13-15-29(27)40-28-16-14-25(39-20-30(35)36)22-9-4-5-10-23(22)28/h6-7,11-16,18H,2,4-5,9-10,17,19-20H2,1H3,(H,35,36)
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120n/an/an/a 1.10E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29895
PNG
(alkynyl ether, 37)
Show SMILES CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30)
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120n/an/an/a 1.50E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29894
PNG
(alkynyl ether, 36)
Show SMILES CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C29H34O5S/c1-2-3-8-17-32-26-18-21(19-33-22-9-4-5-10-22)13-15-28(26)35-27-16-14-25(34-20-29(30)31)23-11-6-7-12-24(23)27/h13-16,18,22H,2,4-7,9-12,17,19-20H2,1H3,(H,30,31)
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150n/an/an/a 900n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29890
PNG
(alkynyl ether, 32)
Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34)
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150n/an/an/a 610n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29888
PNG
(alkynyl ether, 30)
Show SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H29F3O5S/c1-2-3-8-17-37-27-18-21(19-38-26-12-7-6-11-24(26)31(32,33)34)13-15-29(27)40-28-16-14-25(39-20-30(35)36)22-9-4-5-10-23(22)28/h6-7,11-16,18H,2,4-5,9-10,17,19-20H2,1H3,(H,35,36)
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170n/an/an/a 4.50E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29893
PNG
(alkynyl ether, 35)
Show SMILES CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C29H34O6S/c1-2-3-6-15-33-26-18-21(19-34-22-13-16-32-17-14-22)9-11-28(26)36-27-12-10-25(35-20-29(30)31)23-7-4-5-8-24(23)27/h9-12,18,22H,2,4-5,7-8,13-17,19-20H2,1H3,(H,30,31)
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200n/an/an/a 1.50E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29868
PNG
(alkynyl ether, 10)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O
Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)
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210 -37.7n/an/a 6.10E+3n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29881
PNG
(alkynyl ether, 23)
Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36)
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210n/an/an/a 5.90E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29875
PNG
(phenoxyacetic acid-ether, 17)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCCN2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H32F3NO6S/c1-20-21(2)27(10-8-25(20)40-19-29(35)36)41-28-9-3-22(17-26(28)38-16-13-34-11-14-37-15-12-34)18-39-24-6-4-23(5-7-24)30(31,32)33/h3-10,17H,11-16,18-19H2,1-2H3,(H,35,36)
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270n/an/an/a>1.00E+4n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29868
PNG
(alkynyl ether, 10)
Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O
Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32)
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300n/an/an/a 3.00E+3n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM29892
PNG
(alkynyl ether, 34)
Show SMILES CCC#CCOc1cc(CNc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H30F3NO4S/c1-2-3-6-17-38-27-18-21(19-35-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(36)37)24-7-4-5-8-25(24)28/h9-16,18,35H,2,4-5,7-8,17,19-20H2,1H3,(H,36,37)
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660n/an/an/a 3.10E+3n/an/an/an/a



Amgen



Assay Description
The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM29871
PNG
(phenoxyacetic acid-ether, 13)
Show SMILES Cc1cc(COc2cc(COc3ccc(cc3)C(F)(F)F)ccc2Sc2ccc(OCC(O)=O)c(C)c2C)no1
Show InChI InChI=1S/C29H26F3NO6S/c1-17-12-22(33-39-17)15-37-25-13-20(14-36-23-7-5-21(6-8-23)29(30,31)32)4-10-27(25)40-26-11-9-24(18(2)19(26)3)38-16-28(34)35/h4-13H,14-16H2,1-3H3,(H,34,35)
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660n/an/an/a>1.00E+4n/an/an/an/a



Amgen



Assay Description
The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM29890
PNG
(alkynyl ether, 32)
Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34)
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800 -34.4n/an/a>1.00E+5n/an/a7.122



Amgen



Assay Description
The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...


Bioorg Med Chem Lett 19: 3550-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.151
BindingDB Entry DOI: 10.7270/Q2NK3CC0
More data for this
Ligand-Target Pair
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