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4 similar compounds to monomer 50126018

Wt: 496.0
BDBM50124369
Wt: 447.9
BDBM50126016
Purchase
Wt: 437.4
BDBM50184261
Wt: 471.8
BDBM50184263

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50124369,50126016,50184261,50184263   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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PubMed
3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation by human PPAR delta


Bioorg Med Chem Lett 13: 1277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00115-x
BindingDB Entry DOI: 10.7270/Q2PC31R1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma in SPA


Bioorg Med Chem Lett 13: 1277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00115-x
BindingDB Entry DOI: 10.7270/Q2PC31R1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 247n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation by human PPAR alpha


Bioorg Med Chem Lett 13: 1277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00115-x
BindingDB Entry DOI: 10.7270/Q2PC31R1
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/an/an/a 9.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 570n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma in SPA


Bioorg Med Chem Lett 13: 1277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00115-x
BindingDB Entry DOI: 10.7270/Q2PC31R1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR alpha in SPA


Bioorg Med Chem Lett 13: 1277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00115-x
BindingDB Entry DOI: 10.7270/Q2PC31R1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma in SPA


Bioorg Med Chem Lett 13: 1277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00115-x
BindingDB Entry DOI: 10.7270/Q2PC31R1
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR gamma


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 230n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR delta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR gamma


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.30E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 100n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 12n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 570n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/a 110n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 280n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 230n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184263
PNG
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)
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n/an/a 280n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 19.0n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 270n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 270n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50184261
PNG
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPAR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair