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PubMed code 17274610

Compile Data Set for Download or QSAR

Found 263 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 alpha


(Homo sapiens (Human))		BDBM21753
PNG
(2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C20H22O4/c21-20(22)14-16-8-7-15-13-18(9-10-19(15)16)24-12-4-11-23-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,(H,21,22)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21759
PNG
(2-[(1S)-5-[3-(4-cyanophenoxy)propoxy]-2,3-dihydro-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C#N)ccc12 |r|
Show InChI InChI=1S/C21H21NO4/c22-14-15-2-6-18(7-3-15)25-10-1-11-26-19-8-9-20-16(12-19)4-5-17(20)13-21(23)24/h2-3,6-9,12,17H,1,4-5,10-11,13H2,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 5.70E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21784
PNG
(2-[(1S)-5-{3-[4-(6-methylpyridin-2-yl)phenoxy]prop...)
Show SMILES Cc1cccc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO4/c1-18-4-2-5-25(27-18)19-8-10-22(11-9-19)30-14-3-15-31-23-12-13-24-20(16-23)6-7-21(24)17-26(28)29/h2,4-5,8-13,16,21H,3,6-7,14-15,17H2,1H3,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 5.26E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21787
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(1,3-thiazol-2-yl)phenox...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C24H25NO5S/c1-28-22-14-18(24-25-9-12-31-24)5-8-21(22)30-11-2-10-29-19-6-7-20-16(13-19)3-4-17(20)15-23(26)27/h5-9,12-14,17H,2-4,10-11,15H2,1H3,(H,26,27)/t17-/m0/s1
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n/an/an/an/a 255n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 83n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 391n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 526n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 175n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21809
PNG
(2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-1,...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r|
Show InChI InChI=1S/C30H36N2O5S/c1-5-7-22-16-23(29-31-19(2)28(38-29)30(35)32(3)4)10-13-26(22)37-15-6-14-36-24-11-12-25-20(17-24)8-9-21(25)18-27(33)34/h10-13,16-17,21H,5-9,14-15,18H2,1-4H3,(H,33,34)/t21-/m0/s1
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n/an/an/an/a 140n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 1.69E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 105n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 61n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21829
PNG
(2-[(1S)-5-{3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]pr...)
Show SMILES Cc1noc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
Show InChI InChI=1S/C22H23NO5/c1-14-19-7-5-18(13-21(19)28-23-14)27-10-2-9-26-17-6-8-20-15(11-17)3-4-16(20)12-22(24)25/h5-8,11,13,16H,2-4,9-10,12H2,1H3,(H,24,25)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21831
PNG
(2-[(1S)-5-(3-{[3-hydroxy-3-(trifluoromethyl)-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4c(ONC4(O)C(F)(F)F)c3)ccc12 |r|
Show InChI InChI=1S/C22H22F3NO6/c23-22(24,25)21(29)18-7-5-16(12-19(18)32-26-21)31-9-1-8-30-15-4-6-17-13(10-15)2-3-14(17)11-20(27)28/h4-7,10,12,14,26,29H,1-3,8-9,11H2,(H,27,28)/t14-,21?/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21753
PNG
(2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C20H22O4/c21-20(22)14-16-8-7-15-13-18(9-10-19(15)16)24-12-4-11-23-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 44n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21764
PNG
(2-[(1S)-5-[3-(3-methoxyphenoxy)propoxy]-2,3-dihydr...)
Show SMILES COc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
Show InChI InChI=1S/C21H24O5/c1-24-17-4-2-5-18(14-17)25-10-3-11-26-19-8-9-20-15(12-19)6-7-16(20)13-21(22)23/h2,4-5,8-9,12,14,16H,3,6-7,10-11,13H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a 117n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21770
PNG
(2-[(1S)-5-[3-(2-methoxy-4-methylphenoxy)propoxy]-2...)
Show SMILES COc1cc(C)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C22H26O5/c1-15-4-9-20(21(12-15)25-2)27-11-3-10-26-18-7-8-19-16(13-18)5-6-17(19)14-22(23)24/h4,7-9,12-13,17H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 7.5n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(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 11n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21787
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(1,3-thiazol-2-yl)phenox...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C24H25NO5S/c1-28-22-14-18(24-25-9-12-31-24)5-8-21(22)30-11-2-10-29-19-6-7-20-16(13-19)3-4-17(20)15-23(26)27/h5-9,12-14,17H,2-4,10-11,15H2,1H3,(H,26,27)/t17-/m0/s1
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n/an/an/an/a 0.580n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21791
PNG
(2-[(1S)-5-{3-[4-(4-ethyl-1,3-thiazol-2-yl)-2-metho...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C26H29NO5S/c1-3-20-16-33-26(27-20)19-7-10-23(24(14-19)30-2)32-12-4-11-31-21-8-9-22-17(13-21)5-6-18(22)15-25(28)29/h7-10,13-14,16,18H,3-6,11-12,15H2,1-2H3,(H,28,29)/t18-/m0/s1
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n/an/an/an/a 2.5n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21802
PNG
(2-[(1S)-5-{3-[2-methoxy-4-(4,5,6,7-tetrahydro-1,3-...)
Show SMILES COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCCc2s1 |r|
Show InChI InChI=1S/C28H31NO5S/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/h9-12,15-16,19H,2-8,13-14,17H2,1H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 3.30n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 2n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(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 3.20n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21833
PNG
(2-[(1S)-5-{3-[(3-methyl-1-benzofuran-6-yl)oxy]prop...)
Show SMILES Cc1coc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
Show InChI InChI=1S/C23H24O5/c1-15-14-28-22-13-19(5-7-20(15)22)27-10-2-9-26-18-6-8-21-16(11-18)3-4-17(21)12-23(24)25/h5-8,11,13-14,17H,2-4,9-10,12H2,1H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a 8n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 8.00E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(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 1.65E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(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 8.70E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 550n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/m0/s1
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n/an/an/an/a 485n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21786
PNG
(2-[(1S)-5-{3-[2-propyl-4-(1,3-thiazol-2-yl)phenoxy...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C26H29NO4S/c1-2-4-20-15-21(26-27-11-14-32-26)7-10-24(20)31-13-3-12-30-22-8-9-23-18(16-22)5-6-19(23)17-25(28)29/h7-11,14-16,19H,2-6,12-13,17H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/an/an/a 48n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21793
PNG
(2-[(1S)-5-(3-{2-propyl-4-[4-(trifluoromethyl)-1,3-...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3NO4S/c1-2-4-19-13-20(26-31-24(16-36-26)27(28,29)30)7-10-23(19)35-12-3-11-34-21-8-9-22-17(14-21)5-6-18(22)15-25(32)33/h7-10,13-14,16,18H,2-6,11-12,15H2,1H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 55n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21798
PNG
(2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCc2s1 |r|
Show InChI InChI=1S/C29H33NO4S/c1-2-5-21-16-22(29-30-25-6-3-7-27(25)35-29)10-13-26(21)34-15-4-14-33-23-11-12-24-19(17-23)8-9-20(24)18-28(31)32/h10-13,16-17,20H,2-9,14-15,18H2,1H3,(H,31,32)/t20-/m0/s1
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n/an/an/an/a 94n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(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 214n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21820
PNG
(2-[(1S)-5-{3-[4-(4-ethoxy-1,3-thiazol-2-yl)-2-meth...)
Show SMILES CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
Show InChI InChI=1S/C26H29NO6S/c1-3-31-24-16-34-26(27-24)19-7-10-22(23(14-19)30-2)33-12-4-11-32-20-8-9-21-17(13-20)5-6-18(21)15-25(28)29/h7-10,13-14,16,18H,3-6,11-12,15H2,1-2H3,(H,28,29)/t18-/m0/s1
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n/an/an/an/a 920n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21828
PNG
(2-[(1S)-5-{3-[(3,7-dimethyl-1,2-benzoxazol-6-yl)ox...)
Show SMILES Cc1noc2c(C)c(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
Show InChI InChI=1S/C23H25NO5/c1-14-21(9-8-19-15(2)24-29-23(14)19)28-11-3-10-27-18-6-7-20-16(12-18)4-5-17(20)13-22(25)26/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,25,26)/t17-/m0/s1
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n/an/an/an/a 290n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21832
PNG
(2-[(1S)-5-[3-(1,3-benzoxazol-6-yloxy)propoxy]-2,3-...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc12 |r|
Show InChI InChI=1S/C21H21NO5/c23-21(24)11-15-3-2-14-10-16(4-6-18(14)15)25-8-1-9-26-17-5-7-19-20(12-17)27-13-22-19/h4-7,10,12-13,15H,1-3,8-9,11H2,(H,23,24)/t15-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM21838
PNG
(2-[(1S)-5-{3-[(1-methyl-4-propyl-1H-indol-5-yl)oxy...)
Show SMILES CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2n(C)ccc12 |r|
Show InChI InChI=1S/C26H31NO4/c1-3-5-23-22-12-13-27(2)24(22)10-11-25(23)31-15-4-14-30-20-8-9-21-18(16-20)6-7-19(21)17-26(28)29/h8-13,16,19H,3-7,14-15,17H2,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 1.98E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21778
PNG
(2-[(1S)-5-{3-[4-(thiophen-3-yl)phenoxy]propoxy}-2,...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccsc3)ccc12 |r|
Show InChI InChI=1S/C24H24O4S/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)28-12-1-11-27-21-6-4-17(5-7-21)20-10-13-29-16-20/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>1.00E+4n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 1.69E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21793
PNG
(2-[(1S)-5-(3-{2-propyl-4-[4-(trifluoromethyl)-1,3-...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3NO4S/c1-2-4-19-13-20(26-31-24(16-36-26)27(28,29)30)7-10-23(19)35-12-3-11-34-21-8-9-22-17(14-21)5-6-18(22)15-25(32)33/h7-10,13-14,16,18H,2-6,11-12,15H2,1H3,(H,32,33)/t18-/m0/s1
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n/an/an/an/a 197n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21798
PNG
(2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCc2s1 |r|
Show InChI InChI=1S/C29H33NO4S/c1-2-5-21-16-22(29-30-25-6-3-7-27(25)35-29)10-13-26(21)34-15-4-14-33-23-11-12-24-19(17-23)8-9-20(24)18-28(31)32/h10-13,16-17,20H,2-9,14-15,18H2,1H3,(H,31,32)/t20-/m0/s1
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n/an/an/an/a 328n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21815
PNG
(2-[(1S)-5-(3-{4-[4-(carboxymethyl)-1,3-thiazol-2-y...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CC(O)=O)cs1 |r|
Show InChI InChI=1S/C28H31NO6S/c1-2-4-20-13-21(28-29-22(17-36-28)16-27(32)33)7-10-25(20)35-12-3-11-34-23-8-9-24-18(14-23)5-6-19(24)15-26(30)31/h7-10,13-14,17,19H,2-6,11-12,15-16H2,1H3,(H,30,31)(H,32,33)/t19-/m0/s1
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n/an/an/an/a 2.48E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
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 100n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21834
PNG
(2-[(1S)-5-[3-(1H-indol-5-yloxy)propoxy]-2,3-dihydr...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4[nH]ccc4c3)ccc12 |r|
Show InChI InChI=1S/C22H23NO4/c24-22(25)14-16-3-2-15-12-18(4-6-20(15)16)26-10-1-11-27-19-5-7-21-17(13-19)8-9-23-21/h4-9,12-13,16,23H,1-3,10-11,14H2,(H,24,25)/t16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM21840
PNG
(2-[(1S)-5-{3-[(2-methyl-1H-indol-5-yl)oxy]propoxy}...)
Show SMILES Cc1cc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc2[nH]1 |r|
Show InChI InChI=1S/C23H25NO4/c1-15-11-18-13-20(6-8-22(18)24-15)28-10-2-9-27-19-5-7-21-16(12-19)3-4-17(21)14-23(25)26/h5-8,11-13,17,24H,2-4,9-10,14H2,1H3,(H,25,26)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM21757
PNG
(2-[(1S)-5-[3-(4-methoxyphenoxy)propoxy]-2,3-dihydr...)
Show SMILES COc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C21H24O5/c1-24-17-5-7-18(8-6-17)25-11-2-12-26-19-9-10-20-15(13-19)3-4-16(20)14-21(22)23/h5-10,13,16H,2-4,11-12,14H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a 6.70n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...

J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%