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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' AND taxid = 9615   
Target
(Institution)
LigandTarget
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


(Canis familiaris)
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by PPAR alpha


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171993
PNG
(5-[3-(2-Chloro-4-trifluoromethylsulfanyl-phenoxy)-...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(SC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O5S/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)30-20)28-8-3-9-29-18-7-5-15(11-16(18)22)31-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)
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n/an/an/an/a<1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172000
PNG
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)
Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F
Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30)
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171991
PNG
(5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171990
PNG
((S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-pheno...)
Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H23F3O6/c1-2-21(20(26)27)13-15-12-18(8-9-19(15)31-21)29-11-3-10-28-16-4-6-17(7-5-16)30-14-22(23,24)25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,26,27)/t21-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171999
PNG
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES CC1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)11-13-9-14(3-5-17(13)31-20)28-7-2-8-29-18-6-4-15(10-16(18)22)30-12-21(23,24)25/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,26,27)
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n/an/an/an/a 42n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171995
PNG
((R)-5-[2-(2-Chloro-4-trifluoromethoxy-phenoxy)-eth...)
Show SMILES CC(C)[C@]1(Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-12(2)20(19(26)27)11-13-9-14(3-5-17(13)31-20)28-7-8-29-18-6-4-15(10-16(18)22)30-21(23,24)25/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,26,27)/t20-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50164210
PNG
(2-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C)(C)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H22F3NO4/c1-5-7-10-9-12-14(26-22-15(12)18(19,20)21)11(8-6-2)13(10)25-17(3,4)16(23)24/h9H,5-8H2,1-4H3,(H,23,24)
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n/an/an/an/a 550n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against dog Peroxisome proliferator activated receptor alpha


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171992
PNG
((S)-5-{3-[2-Chloro-4-(3,3,3-trifluoro-propyl)-phen...)
Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CCC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O5/c1-2-22(21(28)29)14-16-13-17(5-7-19(16)32-22)30-10-3-11-31-20-6-4-15(12-18(20)24)8-9-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171997
PNG
(5-{3-[2-Chloro-4-(2,2-dimethyl-propyl)-phenoxy]-pr...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(CC(C)(C)C)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)16-18-14-19(8-10-21(18)31-25)29-11-6-12-30-22-9-7-17(13-20(22)26)15-24(2,3)4/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3,(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171994
PNG
((R)-5-[3-(2-Chloro-5-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC(C)[C@]1(Cc2cc(OCCCOc3cc(ccc3Cl)C(F)(F)F)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-13(2)21(20(27)28)12-14-10-16(5-7-18(14)31-21)29-8-3-9-30-19-11-15(22(24,25)26)4-6-17(19)23/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 42n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172006
PNG
(2-tert-Butyl-5-{3-[2-chloro-4-(2,2,2-trifluoro-eth...)
Show SMILES CC(C)(C)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C24H26ClF3O5/c1-22(2,3)23(21(29)30)14-16-12-17(6-8-19(16)33-23)31-9-4-10-32-20-7-5-15(11-18(20)25)13-24(26,27)28/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,29,30)
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171987
PNG
(2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...)
Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1
Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171988
PNG
((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171986
PNG
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES OC(=O)C1Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1
Show InChI InChI=1S/C20H18ClF3O6/c21-15-10-14(29-11-20(22,23)24)3-5-17(15)28-7-1-6-27-13-2-4-16-12(8-13)9-18(30-16)19(25)26/h2-5,8,10,18H,1,6-7,9,11H2,(H,25,26)
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n/an/an/an/a 1.35E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50267991
PNG
((R)-2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluo...)
Show SMILES CC[C@@H](Oc1cccc(c1)-n1c(C)c(C(=O)c2ccc(OC)cc2)c2ccc(OC(F)(F)F)cc12)C(O)=O
Show InChI InChI=1S/C28H24F3NO6/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31/h5-15,24H,4H2,1-3H3,(H,34,35)/t24-/m1/s1
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n/an/an/an/a 370n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARalpha


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50293851
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C28H23ClF3NO5/c1-3-24(27(35)36)37-20-6-4-5-17(13-20)15-33-16(2)25(26(34)18-7-9-19(29)10-8-18)22-12-11-21(14-23(22)33)38-28(30,31)32/h4-14,24H,3,15H2,1-2H3,(H,35,36)/t24-/m1/s1
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n/an/an/an/a 0.550n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARalpha receptor


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARalpha


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172002
PNG
(6-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-propoxy...)
Show SMILES CCC1(Cc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-4-5-14(11-18(13)31-20)28-8-3-9-29-17-7-6-15(10-16(17)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)
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n/an/an/an/a<1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172004
PNG
((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...)
Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/m0/s1
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n/an/an/an/a<1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171996
PNG
(2-Ethyl-5-[3-(2-propyl-4-trifluoromethylsulfanyl-p...)
Show SMILES CCCc1cc(SC(F)(F)F)ccc1OCCCOc1ccc2OC(CC)(Cc2c1)C(O)=O
Show InChI InChI=1S/C24H27F3O5S/c1-3-6-16-14-19(33-24(25,26)27)8-10-20(16)31-12-5-11-30-18-7-9-21-17(13-18)15-23(4-2,32-21)22(28)29/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,28,29)
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n/an/an/an/a<1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172003
PNG
((R)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC(C)[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-13(2)21(20(27)28)12-14-10-15(4-6-18(14)32-21)29-8-3-9-30-19-7-5-16(11-17(19)23)31-22(24,25)26/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171985
PNG
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)12-14-10-15(4-6-18(14)32-21)29-8-3-9-30-19-7-5-16(11-17(19)23)31-13-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against canine PPAR-alpha in Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair