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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'abola' and Initial = 'r'   
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


(Homo sapiens (human))
BDBM50166292
PNG
((S)-2-{3-[1-(4-Methoxy-phenyl)-2-methyl-5-trifluor...)
Show SMILES COc1ccc(cc1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C27H24F3NO5/c1-16-23(14-18-5-4-6-21(13-18)35-17(2)26(32)33)24-15-22(36-27(28,29)30)11-12-25(24)31(16)19-7-9-20(34-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,32,33)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166300
PNG
((S)-2-{2-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-15-4-7-19(28)22(11-15)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166295
PNG
((R)-2-{4-Chloro-3-[1-(6-methoxy-benzo[d]isoxazol-3...)
Show SMILES COc1ccc2c(noc2c1)-n1c(C)c(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H22ClF3N2O6/c1-14-21(11-16-10-18(5-8-23(16)29)38-15(2)27(35)36)22-12-19(39-28(30,31)32)6-9-24(22)34(14)26-20-7-4-17(37-3)13-25(20)40-33-26/h4-10,12-13,15H,11H2,1-3H3,(H,35,36)/t15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157917
PNG
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166298
PNG
((2S)-2-(4-chloro-3-(1-(6-chlorobenzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1ccc(Cl)c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-22-11-15(4-7-19(22)28)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166302
PNG
((S)-2-{5-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)
Show SMILES CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H24ClF3N2O6/c1-4-5-17-6-8-19(14-24(17)38-16(3)28(36)37)39-26-15(2)35(27-21-10-7-18(30)12-25(21)41-34-27)23-11-9-20(13-22(23)26)40-29(31,32)33/h6-14,16H,4-5H2,1-3H3,(H,36,37)/t16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166296
PNG
((S)-2-{3-[1-(6-Methoxy-quinolin-3-yl)-2-methyl-5-t...)
Show SMILES COc1ccc2ncc(cc2c1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C30H25F3N2O5/c1-17-25(12-19-5-4-6-23(11-19)39-18(2)29(36)37)26-15-24(40-30(31,32)33)8-10-28(26)35(17)21-13-20-14-22(38-3)7-9-27(20)34-16-21/h4-11,13-16,18H,12H2,1-3H3,(H,36,37)/t18-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166293
PNG
((S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)
Show SMILES C[C@H](Oc1cccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C26H18ClF3N2O6/c1-13-23(36-17-5-3-4-16(11-17)35-14(2)25(33)34)20-12-18(37-26(28,29)30)7-9-21(20)32(13)24-19-8-6-15(27)10-22(19)38-31-24/h3-12,14H,1-2H3,(H,33,34)/t14-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166303
PNG
(CHEMBL191087 | {3-[1-(4-Methoxy-benzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#N)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C27H21F3N2O4/c1-17-23(15-18-4-3-5-21(14-18)35-13-12-31)24-16-22(36-27(28,29)30)10-11-25(24)32(17)26(33)19-6-8-20(34-2)9-7-19/h3-11,14,16H,13,15H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50166305
PNG
((S)-2-[3-(2-Methyl-5-trifluoromethoxy-1H-indol-3-y...)
Show SMILES C[C@H](Oc1cccc(Cc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C20H18F3NO4/c1-11-16(9-13-4-3-5-14(8-13)27-12(2)19(25)26)17-10-15(28-20(21,22)23)6-7-18(17)24-11/h3-8,10,12,24H,9H2,1-2H3,(H,25,26)/t12-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cytochrome P450 2C9 in rats


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166301
PNG
((4-Methoxy-phenyl)-[2-methyl-3-(3-prop-2-ynyloxy-b...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#C)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H22F3NO4/c1-4-14-35-22-7-5-6-19(15-22)16-24-18(2)32(27(33)20-8-10-21(34-3)11-9-20)26-13-12-23(17-25(24)26)36-28(29,30)31/h1,5-13,15,17H,14,16H2,2-3H3
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166294
PNG
((S)-2-{3-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1cc(Cl)cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-18-8-15(28)7-17(10-18)36-13(2)25(34)35)20-11-16(38-26(29,30)31)4-6-21(20)33(12)24-19-5-3-14(27)9-22(19)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166297
PNG
((S)-2-{3-[1-(6-Methoxy-quinolin-2-yl)-2-methyl-5-t...)
Show SMILES COc1ccc2nc(ccc2c1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C30H25F3N2O5/c1-17-24(14-19-5-4-6-22(13-19)39-18(2)29(36)37)25-16-23(40-30(31,32)33)9-11-27(25)35(17)28-12-7-20-15-21(38-3)8-10-26(20)34-28/h4-13,15-16,18H,14H2,1-3H3,(H,36,37)/t18-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166299
PNG
((S)-2-[3-(2-Methyl-1-pyridin-2-yl-5-trifluorometho...)
Show SMILES C[C@H](Oc1cccc(Cc2c(C)n(-c3ccccn3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C25H21F3N2O4/c1-15-20(13-17-6-5-7-18(12-17)33-16(2)24(31)32)21-14-19(34-25(26,27)28)9-10-22(21)30(15)23-8-3-4-11-29-23/h3-12,14,16H,13H2,1-2H3,(H,31,32)/t16-/m0/s1
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n/an/a 466n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166304
PNG
((S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)
Show SMILES CCCc1c(O[C@@H](C)C(O)=O)cccc1Oc1c(C)n(-c2noc3cc(Cl)ccc23)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C29H24ClF3N2O6/c1-4-6-19-23(38-16(3)28(36)37)7-5-8-24(19)39-26-15(2)35(27-20-11-9-17(30)13-25(20)41-34-27)22-12-10-18(14-21(22)26)40-29(31,32)33/h5,7-14,16H,4,6H2,1-3H3,(H,36,37)/t16-/m0/s1
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n/an/a 641n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166291
PNG
(3-Methyl-5-{4-[2-(methyl-pyridin-2-yl-amino)-ethox...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c1-21(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)22(2)19(24)26-16/h3-10,23H,11-13H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166296
PNG
((S)-2-{3-[1-(6-Methoxy-quinolin-3-yl)-2-methyl-5-t...)
Show SMILES COc1ccc2ncc(cc2c1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C30H25F3N2O5/c1-17-25(12-19-5-4-6-23(11-19)39-18(2)29(36)37)26-15-24(40-30(31,32)33)8-10-28(26)35(17)21-13-20-14-22(38-3)7-9-27(20)34-16-21/h4-11,13-16,18H,12H2,1-3H3,(H,36,37)/t18-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50157917
PNG
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166303
PNG
(CHEMBL191087 | {3-[1-(4-Methoxy-benzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#N)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C27H21F3N2O4/c1-17-23(15-18-4-3-5-21(14-18)35-13-12-31)24-16-22(36-27(28,29)30)10-11-25(24)32(17)26(33)19-6-8-20(34-2)9-7-19/h3-11,14,16H,13,15H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166295
PNG
((R)-2-{4-Chloro-3-[1-(6-methoxy-benzo[d]isoxazol-3...)
Show SMILES COc1ccc2c(noc2c1)-n1c(C)c(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H22ClF3N2O6/c1-14-21(11-16-10-18(5-8-23(16)29)38-15(2)27(35)36)22-12-19(39-28(30,31)32)6-9-24(22)34(14)26-20-7-4-17(37-3)13-25(20)40-33-26/h4-10,12-13,15H,11H2,1-3H3,(H,35,36)/t15-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166301
PNG
((4-Methoxy-phenyl)-[2-methyl-3-(3-prop-2-ynyloxy-b...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#C)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H22F3NO4/c1-4-14-35-22-7-5-6-19(15-22)16-24-18(2)32(27(33)20-8-10-21(34-3)11-9-20)26-13-12-23(17-25(24)26)36-28(29,30)31/h1,5-13,15,17H,14,16H2,2-3H3
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n/an/an/an/a 31n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166293
PNG
((S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)
Show SMILES C[C@H](Oc1cccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C26H18ClF3N2O6/c1-13-23(36-17-5-3-4-16(11-17)35-14(2)25(33)34)20-12-18(37-26(28,29)30)7-9-21(20)32(13)24-19-8-6-15(27)10-22(19)38-31-24/h3-12,14H,1-2H3,(H,33,34)/t14-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166298
PNG
((2S)-2-(4-chloro-3-(1-(6-chlorobenzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1ccc(Cl)c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-22-11-15(4-7-19(22)28)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166294
PNG
((S)-2-{3-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1cc(Cl)cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-18-8-15(28)7-17(10-18)36-13(2)25(34)35)20-11-16(38-26(29,30)31)4-6-21(20)33(12)24-19-5-3-14(27)9-22(19)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/an/an/a 114n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166302
PNG
((S)-2-{5-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)
Show SMILES CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H24ClF3N2O6/c1-4-5-17-6-8-19(14-24(17)38-16(3)28(36)37)39-26-15(2)35(27-21-10-7-18(30)12-25(21)41-34-27)23-11-9-20(13-22(23)26)40-29(31,32)33/h6-14,16H,4-5H2,1-3H3,(H,36,37)/t16-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166291
PNG
(3-Methyl-5-{4-[2-(methyl-pyridin-2-yl-amino)-ethox...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)n(C)c2O)cc1)c1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c1-21(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)22(2)19(24)26-16/h3-10,23H,11-13H2,1-2H3
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166300
PNG
((S)-2-{2-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)
Show SMILES C[C@H](Oc1cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)ccc1Cl)C(O)=O
Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-15-4-7-19(28)22(11-15)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50166292
PNG
((S)-2-{3-[1-(4-Methoxy-phenyl)-2-methyl-5-trifluor...)
Show SMILES COc1ccc(cc1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C27H24F3NO5/c1-16-23(14-18-5-4-6-21(13-18)35-17(2)26(32)33)24-15-22(36-27(28,29)30)11-12-25(24)31(16)19-7-9-20(34-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,32,33)/t17-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation


Bioorg Med Chem Lett 15: 2437-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8
More data for this
Ligand-Target Pair