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PubMed code 19827831

Compile data set for download or QSAR
Found 83 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33970
PNG
(maleimide derivative, 12)
Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)
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PubMed
n/an/a 0.900n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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n/an/a 1n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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n/an/a 1.30n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 1.60n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33970
PNG
(maleimide derivative, 12)
Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)
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n/an/a 1.80n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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n/an/a 2n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C26H23N3O3/c1-29(2)11-12-32-17-13-16-7-3-4-8-18(16)20(14-17)23-24(26(31)28-25(23)30)21-15-27-22-10-6-5-9-19(21)22/h3-10,13-15,27H,11-12H2,1-2H3,(H,28,30,31)
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n/an/a 2.10n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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n/an/a 2.10n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C26H23N3O3/c1-29(2)11-12-32-17-13-16-7-3-4-8-18(16)20(14-17)23-24(26(31)28-25(23)30)21-15-27-22-10-6-5-9-19(21)22/h3-10,13-15,27H,11-12H2,1-2H3,(H,28,30,31)
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n/an/a 2.20n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 2.30n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C26H23N3O3/c1-29(2)11-12-32-17-13-16-7-3-4-8-18(16)20(14-17)23-24(26(31)28-25(23)30)21-15-27-22-10-6-5-9-19(21)22/h3-10,13-15,27H,11-12H2,1-2H3,(H,28,30,31)
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n/an/a 3.30n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C26H23N3O3/c1-29(2)11-12-32-17-13-16-7-3-4-8-18(16)20(14-17)23-24(26(31)28-25(23)30)21-15-27-22-10-6-5-9-19(21)22/h3-10,13-15,27H,11-12H2,1-2H3,(H,28,30,31)
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n/an/a 4.40n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33970
PNG
(maleimide derivative, 12)
Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)
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n/an/a 4.80n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C26H23N3O3/c1-29(2)11-12-32-17-13-16-7-3-4-8-18(16)20(14-17)23-24(26(31)28-25(23)30)21-15-27-22-10-6-5-9-19(21)22/h3-10,13-15,27H,11-12H2,1-2H3,(H,28,30,31)
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n/an/a 5.5n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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n/an/a 6.10n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 6.60n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 6.70n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33969
PNG
(maleimide derivative, 11)
Show SMILES CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20-21(23(29)25-22(20)28)18-14-24-19-8-3-2-7-17(18)19/h2-8,13-14,24H,9-12H2,1H3,(H,25,28,29)
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n/an/a 7.10n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33970
PNG
(maleimide derivative, 12)
Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)
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n/an/a 7.30n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 8.70n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 10n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C26H23N3O3/c1-29(2)11-12-32-17-13-16-7-3-4-8-18(16)20(14-17)23-24(26(31)28-25(23)30)21-15-27-22-10-6-5-9-19(21)22/h3-10,13-15,27H,11-12H2,1-2H3,(H,28,30,31)
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n/an/a 11n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33967
PNG
(maleimide derivative, 9)
Show SMILES CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25(2)10-11-28-15-7-5-6-14(12-15)19-20(22(27)24-21(19)26)17-13-23-18-9-4-3-8-16(17)18/h3-9,12-13,23H,10-11H2,1-2H3,(H,24,26,27)
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n/an/a 15n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33970
PNG
(maleimide derivative, 12)
Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)
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n/an/a 19n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33970
PNG
(maleimide derivative, 12)
Show SMILES CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1
Show InChI InChI=1S/C27H24N4O2/c1-30-10-12-31(13-11-30)18-14-17-6-2-3-7-19(17)21(15-18)24-25(27(33)29-26(24)32)22-16-28-23-9-5-4-8-20(22)23/h2-9,14-16,28H,10-13H2,1H3,(H,29,32,33)
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n/an/a 25n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33967
PNG
(maleimide derivative, 9)
Show SMILES CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25(2)10-11-28-15-7-5-6-14(12-15)19-20(22(27)24-21(19)26)17-13-23-18-9-4-3-8-16(17)18/h3-9,12-13,23H,10-11H2,1-2H3,(H,24,26,27)
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n/an/a 29n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33969
PNG
(maleimide derivative, 11)
Show SMILES CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20-21(23(29)25-22(20)28)18-14-24-19-8-3-2-7-17(18)19/h2-8,13-14,24H,9-12H2,1H3,(H,25,28,29)
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n/an/a 36n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33969
PNG
(maleimide derivative, 11)
Show SMILES CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20-21(23(29)25-22(20)28)18-14-24-19-8-3-2-7-17(18)19/h2-8,13-14,24H,9-12H2,1H3,(H,25,28,29)
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n/an/a 36n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33967
PNG
(maleimide derivative, 9)
Show SMILES CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25(2)10-11-28-15-7-5-6-14(12-15)19-20(22(27)24-21(19)26)17-13-23-18-9-4-3-8-16(17)18/h3-9,12-13,23H,10-11H2,1-2H3,(H,24,26,27)
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n/an/a 47n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33967
PNG
(maleimide derivative, 9)
Show SMILES CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25(2)10-11-28-15-7-5-6-14(12-15)19-20(22(27)24-21(19)26)17-13-23-18-9-4-3-8-16(17)18/h3-9,12-13,23H,10-11H2,1-2H3,(H,24,26,27)
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n/an/a 47n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33966
PNG
(maleimide derivative, 5)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)
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n/an/a 47n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33967
PNG
(maleimide derivative, 9)
Show SMILES CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25(2)10-11-28-15-7-5-6-14(12-15)19-20(22(27)24-21(19)26)17-13-23-18-9-4-3-8-16(17)18/h3-9,12-13,23H,10-11H2,1-2H3,(H,24,26,27)
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n/an/a 52n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33967
PNG
(maleimide derivative, 9)
Show SMILES CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25(2)10-11-28-15-7-5-6-14(12-15)19-20(22(27)24-21(19)26)17-13-23-18-9-4-3-8-16(17)18/h3-9,12-13,23H,10-11H2,1-2H3,(H,24,26,27)
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n/an/a 58n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33969
PNG
(maleimide derivative, 11)
Show SMILES CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20-21(23(29)25-22(20)28)18-14-24-19-8-3-2-7-17(18)19/h2-8,13-14,24H,9-12H2,1H3,(H,25,28,29)
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n/an/a 59n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33964
PNG
(maleimide derivative, 3)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
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n/an/a 60n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33966
PNG
(maleimide derivative, 5)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)
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n/an/a 73n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33969
PNG
(maleimide derivative, 11)
Show SMILES CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20-21(23(29)25-22(20)28)18-14-24-19-8-3-2-7-17(18)19/h2-8,13-14,24H,9-12H2,1H3,(H,25,28,29)
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n/an/a 76n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33969
PNG
(maleimide derivative, 11)
Show SMILES CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H22N4O2/c1-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20-21(23(29)25-22(20)28)18-14-24-19-8-3-2-7-17(18)19/h2-8,13-14,24H,9-12H2,1H3,(H,25,28,29)
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n/an/a 97n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33964
PNG
(maleimide derivative, 3)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
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n/an/a 98n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33964
PNG
(maleimide derivative, 3)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
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n/an/a 165n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33966
PNG
(maleimide derivative, 5)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)
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n/an/a 183n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33964
PNG
(maleimide derivative, 3)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
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n/an/a 207n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33966
PNG
(maleimide derivative, 5)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)
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n/an/a 255n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33966
PNG
(maleimide derivative, 5)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)
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n/an/a 285n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33966
PNG
(maleimide derivative, 5)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H23N3O2S/c1-27(2)12-7-13-28-14-18(16-8-3-5-10-20(16)28)22-23(25(30)26-24(22)29)19-15-31-21-11-6-4-9-17(19)21/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,29,30)
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n/an/a 293n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33965
PNG
(maleimide derivative, 4)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
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n/an/a>315n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33965
PNG
(maleimide derivative, 4)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
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n/an/a>315n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33965
PNG
(maleimide derivative, 4)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
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n/an/a>315n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33965
PNG
(maleimide derivative, 4)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
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n/an/a>315n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33964
PNG
(maleimide derivative, 3)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
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n/an/a>315n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33965
PNG
(maleimide derivative, 4)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
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n/an/a>315n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33965
PNG
(maleimide derivative, 4)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-28(2)12-7-13-29-14-17(15-8-4-6-11-19(15)29)20-21(24(31)25-23(20)30)22-16-9-3-5-10-18(16)26-27-22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,26,27)(H,25,30,31)
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n/an/a>315n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34018
PNG
(phenylpropanoic acid derivative, 28)
Show SMILES Cc1oc(nc1CC#Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,11,18H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 330n/a 1.00E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33964
PNG
(maleimide derivative, 3)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c1-29(2)15-8-16-30-17-22(20-12-5-6-14-23(20)30)25-24(26(31)28-27(25)32)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,28,31,32)
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n/an/a 349n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34031
PNG
(phenylpropanoic acid derivative, 57 | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO3/c1-24-32(35-33(38-24)28-13-6-3-7-14-28)17-8-10-25-18-20-26(21-19-25)22-31(34(36)37)30-16-9-15-29(23-30)27-11-4-2-5-12-27/h2-7,9,11-16,18-21,23,31H,8,10,17,22H2,1H3,(H,36,37)
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n/an/a 529n/a 1.60E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34017
PNG
(CHEMBL104850 | phenylpropanoic acid derivative, 7)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N2O4/c1-18-22(26-24(31-18)20-7-3-2-4-8-20)13-16-30-21-11-9-19(10-12-21)17-23(25(28)29)27-14-5-6-15-27/h2-12,14-15,23H,13,16-17H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/a 697n/a 684n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM33972
PNG
(maleimide derivative, 13)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)
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n/an/a 794n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM33284
PNG
(BMC164883 Compound 53 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 912n/a 623n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM33972
PNG
(maleimide derivative, 13)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)
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n/an/a 1.27E+3n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM33972
PNG
(maleimide derivative, 13)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34028
PNG
(phenylpropanoic acid derivative, 54)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m1/s1
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n/an/a 1.43E+3n/a 5.00E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM33972
PNG
(maleimide derivative, 13)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)
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n/an/a 1.50E+3n/an/an/an/a7.423



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM33972
PNG
(maleimide derivative, 13)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34034
PNG
(phenylpropanoic acid derivative, 66)
Show SMILES Cc1oc(nc1CCNc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)20-7-3-2-4-8-20)13-14-26-21-11-9-19(10-12-21)17-23(25(29)30)28-15-5-6-16-28/h2-12,15-16,23,26H,13-14,17H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/a 1.90E+3n/a 2.30E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Protein Kinase C, eta


(Homo sapiens (human))
BDBM33972
PNG
(maleimide derivative, 13)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)
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n/an/a 2.55E+3n/an/an/an/an/an/a



Novartis



Assay Description
Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by in...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM33296
PNG
(BMC164883 Compound 58 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO3/c1-20-26(29-27(32-20)24-12-6-3-7-13-24)14-8-9-21-15-17-22(18-16-21)19-25(28(30)31)23-10-4-2-5-11-23/h2-7,10-13,15-18,25H,8-9,14,19H2,1H3,(H,30,31)
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n/an/a>3.30E+3n/a 5.00E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34025
PNG
(phenylpropanoic acid derivative, 40)
Show SMILES Cc1oc(nc1C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-10,12-17,24H,11,18H2,1H3,(H,29,30)/b8-7+/t24-/m0/s1
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n/an/a>3.30E+3n/a 2.80E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34024
PNG
(phenylpropanoic acid derivative, 36)
Show SMILES CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccn1
Show InChI InChI=1S/C22H23N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-13,15-16,20H,14,17H2,1H3,(H,26,27)/b7-6+/t20-/m0/s1
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n/an/an/an/a 2.90E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34020
PNG
(phenylpropanoic acid derivative, 30 | racemic)
Show SMILES Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2ccc(cc2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H27NO3/c1-24-32(35-33(38-24)30-12-6-3-7-13-30)14-8-9-25-15-17-26(18-16-25)23-31(34(36)37)29-21-19-28(20-22-29)27-10-4-2-5-11-27/h2-7,10-13,15-22,31H,14,23H2,1H3,(H,36,37)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34021
PNG
(phenylpropanoic acid derivative, 31 | racemic)
Show SMILES Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H27NO3/c1-24-32(35-33(38-24)28-13-6-3-7-14-28)17-8-10-25-18-20-26(21-19-25)22-31(34(36)37)30-16-9-15-29(23-30)27-11-4-2-5-12-27/h2-7,9,11-16,18-21,23,31H,17,22H2,1H3,(H,36,37)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34030
PNG
(phenylpropanoic acid derivative, 56 | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccc(cc2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO3/c1-24-32(35-33(38-24)30-12-6-3-7-13-30)14-8-9-25-15-17-26(18-16-25)23-31(34(36)37)29-21-19-28(20-22-29)27-10-4-2-5-11-27/h2-7,10-13,15-22,31H,8-9,14,23H2,1H3,(H,36,37)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34027
PNG
(phenylpropanoic acid derivative, 44)
Show SMILES CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1
Show InChI InChI=1S/C23H24N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-14,16-17,22H,15,18H2,1H3,(H,26,27)/b8-7+/t22-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34022
PNG
(phenylpropanoic acid derivative, 32 | racemic)
Show SMILES CN(CC#Cc1ccc(CC(C(O)=O)n2cccc2)cc1)c1ccccn1
Show InChI InChI=1S/C22H21N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-5,8-13,15-16,20H,14,17H2,1H3,(H,26,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34026
PNG
(phenylpropanoic acid derivative, 41)
Show SMILES Cc1oc(nc1C\C=C\c1ccc(C[C@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-10,12-17,24H,11,18H2,1H3,(H,29,30)/b8-7+/t24-/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34037
PNG
(phenylpropanoic acid derivative, 76)
Show SMILES CC(=O)N(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1
Show InChI InChI=1S/C27H27N3O4/c1-19-24(28-26(34-19)23-8-4-3-5-9-23)18-30(20(2)31)17-22-12-10-21(11-13-22)16-25(27(32)33)29-14-6-7-15-29/h3-15,25H,16-18H2,1-2H3,(H,32,33)/t25-/m0/s1
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Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34029
PNG
(phenylpropanoic acid derivative, 55 | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O3/c1-19-25(29-26(32-19)22-8-3-2-4-9-22)11-5-7-20-12-14-21(15-13-20)17-24(27(30)31)23-10-6-16-28-18-23/h2-4,6,8-10,12-16,18,24H,5,7,11,17H2,1H3,(H,30,31)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34019
PNG
(phenylpropanoic acid derivative, 29 | racemic)
Show SMILES Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c1-19-25(29-26(32-19)22-8-3-2-4-9-22)11-5-7-20-12-14-21(15-13-20)17-24(27(30)31)23-10-6-16-28-18-23/h2-4,6,8-10,12-16,18,24H,11,17H2,1H3,(H,30,31)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34035
PNG
(phenylpropanoic acid derivative, 74)
Show SMILES Cc1oc(nc1CNCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)21-7-3-2-4-8-21)17-26-16-20-11-9-19(10-12-20)15-23(25(29)30)28-13-5-6-14-28/h2-14,23,26H,15-17H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34032
PNG
(phenylpropanoic acid derivative, 59)
Show SMILES CN(CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccn1
Show InChI InChI=1S/C22H25N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-5,8-13,15-16,20H,6-7,14,17H2,1H3,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 2.50E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34036
PNG
(phenylpropanoic acid derivative, 75)
Show SMILES CN(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c1-19-23(27-25(32-19)22-8-4-3-5-9-22)18-28(2)17-21-12-10-20(11-13-21)16-24(26(30)31)29-14-6-7-15-29/h3-15,24H,16-18H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34033
PNG
(phenylpropanoic acid derivative, 60)
Show SMILES CN(CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-6,9-14,16-17,22H,7-8,15,18H2,1H3,(H,26,27)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM34023
PNG
(phenylpropanoic acid derivative, 33)
Show SMILES CN(CC#Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1
Show InChI InChI=1S/C23H22N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-6,9-14,16-17,22H,15,18H2,1H3,(H,26,27)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%