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Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'do' and Initial = 'qq'   
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
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to rat pituitary GnRH receptor


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194976
PNG
((S)-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194957
PNG
(2-((6-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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7n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277947
PNG
(CHEMBL482559 | N-(4-(4-(2-(cyclopentylamino)pyrimi...)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:8.11,wD:5.4,(22.41,-2.51,;22.42,-.98,;20.88,-.96,;23.96,-1,;22.44,.56,;23.79,1.31,;25.11,.52,;26.46,1.27,;26.48,2.81,;25.16,3.6,;23.82,2.85,;27.94,3.29,;28.41,4.76,;29.95,4.76,;30.43,3.3,;29.2,2.4,;29.2,.86,;27.87,.09,;27.87,-1.46,;29.21,-2.23,;30.54,-1.46,;31.88,-2.23,;31.88,-3.77,;30.64,-4.66,;31.11,-6.13,;32.66,-6.12,;33.13,-4.66,;30.54,.09,)|
Show InChI InChI=1S/C19H28N6O2S/c1-28(26,27)25-15-8-6-13(7-9-15)18-16(12-21-24-18)17-10-11-20-19(23-17)22-14-4-2-3-5-14/h10-15,25H,2-9H2,1H3,(H,21,24)(H,20,22,23)/t13-,15-
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9n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194955
PNG
(2-((6-(2-(2-(3-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-2-5-18(24)12-17)8-11-29-20-7-6-16(14-25-20)13-23(22(27)28)9-3-10-30-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,27,28)
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11n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277910
PNG
(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
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12n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277909
PNG
(CHEMBL483741 | N-cyclopentyl-4-(3-(tetrahydro-2H-p...)
Show SMILES C1CCC(C1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C17H23N5O/c1-2-6-13(5-1)20-17-18-8-7-15(21-17)14-10-19-22-16(14)12-4-3-9-23-11-12/h7-8,10,12-13H,1-6,9,11H2,(H,19,22)(H,18,20,21)
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12n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194971
PNG
(2-((6-(2-(5-methyl-2-(3-(trifluoromethyl)phenyl)ox...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-2-5-18(12-17)24(25,26)27)8-11-32-20-7-6-16(14-28-20)13-23(22(30)31)9-3-10-33-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,30,31)
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15n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194968
PNG
(3-(6-(4-(3-chlorophenoxy)-2-methylphenethoxy)pyrid...)
Show SMILES COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO5/c1-16-12-21(31-20-5-3-4-19(25)14-20)8-7-18(16)10-11-30-23-9-6-17(15-26-23)13-22(29-2)24(27)28/h3-9,12,14-15,22H,10-11,13H2,1-2H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194961
PNG
(2-((6-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-19(13-16)22-26-20(17(2)31-22)9-12-29-21-8-7-18(15-25-21)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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16n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194950
PNG
(2-((6-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-7-19(29-2)8-6-18)10-13-30-21-9-4-17(15-25-21)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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17n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195074
PNG
(2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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20n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194974
PNG
(2-((6-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H26N2O5/c1-16-4-7-19(8-5-16)22-26-20(17(2)31-22)10-13-29-21-9-6-18(15-25-21)14-24(23(27)28)11-3-12-30-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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23n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277869
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopent...)
Show SMILES Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H18ClN5/c19-13-7-5-12(6-8-13)17-15(11-21-24-17)16-9-10-20-18(23-16)22-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,24)(H,20,22,23)
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26n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277838
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclohexy...)
Show SMILES Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C19H20ClN5/c20-14-8-6-13(7-9-14)18-16(12-22-25-18)17-10-11-21-19(24-17)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,25)(H,21,23,24)
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27n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277948
PNG
(CHEMBL482753 | N-(4-(4-(2-(cyclopentylamino)pyrimi...)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:7.10,wD:4.3,(-8.79,-14.61,;-7.44,-13.86,;-7.42,-12.32,;-6.12,-14.65,;-4.78,-13.9,;-3.45,-14.69,;-2.1,-13.94,;-2.09,-12.4,;-3.41,-11.62,;-4.75,-12.36,;-.63,-11.92,;-.15,-10.45,;1.39,-10.45,;1.87,-11.91,;.63,-12.82,;.63,-14.36,;-.69,-15.13,;-.7,-16.67,;.64,-17.44,;1.97,-16.67,;3.31,-17.44,;3.31,-18.98,;2.07,-19.88,;2.55,-21.34,;4.09,-21.34,;4.56,-19.87,;1.97,-15.12,)|
Show InChI InChI=1S/C20H28N6O/c1-13(27)23-16-8-6-14(7-9-16)19-17(12-22-26-19)18-10-11-21-20(25-18)24-15-4-2-3-5-15/h10-12,14-16H,2-9H2,1H3,(H,22,26)(H,23,27)(H,21,24,25)/t14-,16-
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28n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277946
PNG
(3-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES OC1CCCC(C1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-3-4-12(10-14)17-15(11-20-23-17)16-8-9-19-18(22-16)21-13-5-1-2-6-13/h8-9,11-14,24H,1-7,10H2,(H,20,23)(H,19,21,22)
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36n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194967
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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38n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277873
PNG
(CHEMBL485365 | N-isopropyl-4-(3-(tetrahydro-2H-pyr...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
Show InChI InChI=1S/C15H21N5O/c1-10(2)18-15-16-6-5-13(19-15)12-8-17-20-14(12)11-4-3-7-21-9-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,20)(H,16,18,19)
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195084
PNG
(2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277836
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-isopropyl...)
Show SMILES CC(C)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN5/c1-10(2)20-16-18-8-7-14(21-16)13-9-19-22-15(13)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
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48n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194969
PNG
(2-((6-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-6-18(24)7-5-17)9-12-29-20-8-3-16(14-25-20)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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52n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194963
PNG
(2-methoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-17(23-20(28-14)16-6-4-3-5-7-16)10-11-27-19-9-8-15(13-22-19)12-18(26-2)21(24)25/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)
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63n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195087
PNG
(2-ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-20(22(25)26)13-17-9-10-18(14-23-17)28-12-11-19-15(2)29-21(24-19)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13H2,1-2H3,(H,25,26)
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73n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194952
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)11-14-29-21-10-9-18(16-25-21)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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81n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195082
PNG
(2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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93n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194970
PNG
(2-((6-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)ox...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-6-18(7-5-17)24(25,26)27)9-12-32-20-8-3-16(14-28-20)13-23(22(30)31)10-2-11-33-23/h3-8,14H,2,9-13H2,1H3,(H,30,31)
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94n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277907
PNG
(CHEMBL520488 | N-isopropyl-4-(3-(1-(methylsulfonyl...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C16H24N6O2S/c1-11(2)19-16-17-7-4-14(20-16)13-10-18-21-15(13)12-5-8-22(9-6-12)25(3,23)24/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
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101n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194953
PNG
(2-ethoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-19(22(25)26)13-16-9-10-20(23-14-16)28-12-11-18-15(2)29-21(24-18)17-7-5-4-6-8-17/h4-10,14,19H,3,11-13H2,1-2H3,(H,25,26)
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150n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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150n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277837
PNG
(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cycloprop...)
Show SMILES Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C16H14ClN5/c17-11-3-1-10(2-4-11)15-13(9-19-22-15)14-7-8-18-16(21-14)20-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,19,22)(H,18,20,21)
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151n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195078
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyra...)
Show SMILES Cc1oc(nc1CCOc1cnc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-20(30-15)16-6-3-2-4-7-16)8-11-28-19-14-23-17(13-24-19)12-22(21(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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160n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277908
PNG
(CHEMBL518996 | N-(1-methylpiperidin-4-yl)-4-(3-(6-...)
Show SMILES CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(C)nc1
Show InChI InChI=1S/C19H23N7/c1-13-3-4-14(11-21-13)18-16(12-22-25-18)17-5-8-20-19(24-17)23-15-6-9-26(2)10-7-15/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,22,25)(H,20,23,24)
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162n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277905
PNG
(CHEMBL520332 | N-isopropyl-4-(3-(tetrahydro-2H-pyr...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCOCC1
Show InChI InChI=1S/C15H21N5O/c1-10(2)18-15-16-6-3-13(19-15)12-9-17-20-14(12)11-4-7-21-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,20)(H,16,18,19)
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169n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195086
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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210n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194977
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4/c1-3-7-19(23(26)27)14-17-10-11-21(24-15-17)28-13-12-20-16(2)29-22(25-20)18-8-5-4-6-9-18/h4-6,8-11,15,19H,3,7,12-14H2,1-2H3,(H,26,27)
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240n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194965
PNG
((S)-2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenylo...)
Show SMILES CO[C@@](C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-18(24-20(29-15)17-7-5-4-6-8-17)11-12-28-19-10-9-16(14-23-19)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)/t22-/m0/s1
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270n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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300n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277868
PNG
((R)-3-(4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)pyrim...)
Show SMILES C[C@H](CC(O)=O)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H16ClN5O2/c1-10(8-15(24)25)21-17-19-7-6-14(22-17)13-9-20-23-16(13)11-2-4-12(18)5-3-11/h2-7,9-10H,8H2,1H3,(H,20,23)(H,24,25)(H,19,21,22)/t10-/m1/s1
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315n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194973
PNG
(2-((6-(2-(2-(4-cyanophenyl)-5-methyloxazol-4-yl)et...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23N3O5/c1-16-20(27-22(32-16)19-6-3-17(14-25)4-7-19)9-12-30-21-8-5-18(15-26-21)13-24(23(28)29)10-2-11-31-24/h3-8,15H,2,9-13H2,1H3,(H,28,29)
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334n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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340n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50195076
PNG
(2-methoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-18(23-20(28-14)15-6-4-3-5-7-15)10-11-27-17-9-8-16(22-13-17)12-19(26-2)21(24)25/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)
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348n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194956
PNG
(4-methyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES CC(C)CC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C24H28N2O4/c1-16(2)13-20(24(27)28)14-18-9-10-22(25-15-18)29-12-11-21-17(3)30-23(26-21)19-7-5-4-6-8-19/h4-10,15-16,20H,11-14H2,1-3H3,(H,27,28)
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360n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277872
PNG
(CHEMBL485364 | N-isopropyl-4-(3-(tetrahydro-2H-pyr...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCCO1
Show InChI InChI=1S/C15H21N5O/c1-10(2)18-15-16-7-6-12(19-15)11-9-17-20-14(11)13-5-3-4-8-21-13/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,20)(H,16,18,19)
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381n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194960
PNG
(1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCC2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-16-19(25-21(29-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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394n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
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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440n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
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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440n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50277906
PNG
(CHEMBL484326 | N-isopropyl-4-(3-(piperidin-3-yl)-1...)
Show SMILES CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCNC1
Show InChI InChI=1S/C15H22N6/c1-10(2)19-15-17-7-5-13(20-15)12-9-18-21-14(12)11-4-3-6-16-8-11/h5,7,9-11,16H,3-4,6,8H2,1-2H3,(H,18,21)(H,17,19,20)
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530n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2099-102 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.023
BindingDB Entry DOI: 10.7270/Q26H4H9D
More data for this
Ligand-Target Pair
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