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Compile Data Set for Download or QSAR

Found 283 hits with Last Name = 'stark' and Initial = 'w'   
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 |t:11|
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 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 |t:11|
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/a25



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 |t:11|
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 |t:9|
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 |t:11|
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 |t:11|
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
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50391897
PNG
(CHEMBL2147537)
Show SMILES C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
Show InChI InChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:11|
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)
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 |t:9|
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))
BDBM33968
PNG
(maleimide derivative, 10)
Show SMILES CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:9|
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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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 |t:9|
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 |t:9|
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/a25



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))
BDBM50391902
PNG
(CHEMBL2147542)
Show SMILES C1CNCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c1-5-19-9-11-23(10-1)18-16-4-8-21-13-15(16)12-17(22-18)14-2-6-20-7-3-14/h2-4,6-8,12-13,19H,1,5,9-11H2
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20606
PNG
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
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n/an/a 4n/a 3.10n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |t:9|
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 |t:11|
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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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))
BDBM50324316
PNG
(CHEMBL1214929 | N*1*-(3-Pyridin-4-yl[2,6]naphthyri...)
Show SMILES NCCNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C15H15N5/c16-4-8-19-15-13-3-7-18-10-12(13)9-14(20-15)11-1-5-17-6-2-11/h1-3,5-7,9-10H,4,8,16H2,(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50324316
PNG
(CHEMBL1214929 | N*1*-(3-Pyridin-4-yl[2,6]naphthyri...)
Show SMILES NCCNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C15H15N5/c16-4-8-19-15-13-3-7-18-10-12(13)9-14(20-15)11-1-5-17-6-2-11/h1-3,5-7,9-10H,4,8,16H2,(H,19,20)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50391897
PNG
(CHEMBL2147537)
Show SMILES C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
Show InChI InChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:9|
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/a25



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))
BDBM50324319
PNG
(1-Piperazin-1-yl-3-pyridin-4-yl[2,6]naphthyridine ...)
Show SMILES C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:11|
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/a25



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 |t:11|
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 6.20n/an/an/an/an/a25



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 |t:9|
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/a25



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 |t:9|
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/a25



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))
BDBM50391902
PNG
(CHEMBL2147542)
Show SMILES C1CNCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c1-5-19-9-11-23(10-1)18-16-4-8-21-13-15(16)12-17(22-18)14-2-6-20-7-3-14/h2-4,6-8,12-13,19H,1,5,9-11H2
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:15|
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 |t:11|
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, epsilon


(Homo sapiens (Human))
BDBM50324319
PNG
(1-Piperazin-1-yl-3-pyridin-4-yl[2,6]naphthyridine ...)
Show SMILES C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50391903
PNG
(CHEMBL2147543)
Show SMILES NC1CCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c19-15-2-1-9-23(12-15)18-16-5-8-21-11-14(16)10-17(22-18)13-3-6-20-7-4-13/h3-8,10-11,15H,1-2,9,12,19H2
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50391897
PNG
(CHEMBL2147537)
Show SMILES C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
Show InChI InChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCdelta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity a...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:9|
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))
BDBM50391898
PNG
(CHEMBL2147538)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |t:9|
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/a25



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))
BDBM50391904
PNG
(CHEMBL2147544)
Show SMILES NCCCNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C16H17N5/c17-5-1-6-20-16-14-4-9-19-11-13(14)10-15(21-16)12-2-7-18-8-3-12/h2-4,7-11H,1,5-6,17H2,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:9|
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/a25



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))
BDBM50391903
PNG
(CHEMBL2147543)
Show SMILES NC1CCCN(C1)c1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c19-15-2-1-9-23(12-15)18-16-5-8-21-11-14(16)10-17(22-18)13-3-6-20-7-4-13/h3-8,10-11,15H,1-2,9,12,19H2
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50391904
PNG
(CHEMBL2147544)
Show SMILES NCCCNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C16H17N5/c17-5-1-6-20-16-14-4-9-19-11-13(14)10-15(21-16)12-2-7-18-8-3-12/h2-4,7-11H,1,5-6,17H2,(H,20,21)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20606
PNG
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
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n/an/a 13n/a 24n/an/an/a25



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50391911
PNG
(CHEMBL2147551)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1Cl
Show InChI InChI=1S/C17H18ClN5/c1-17(2,19)10-22-16-12-3-5-20-8-11(12)7-15(23-16)13-4-6-21-9-14(13)18/h3-9H,10,19H2,1-2H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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 |t:13|
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
Estrogen receptor


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 17n/a 10.3n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50391898
PNG
(CHEMBL2147538)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50391910
PNG
(CHEMBL2147550)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1F
Show InChI InChI=1S/C17H18FN5/c1-17(2,19)10-22-16-12-3-5-20-8-11(12)7-15(23-16)13-4-6-21-9-14(13)18/h3-9H,10,19H2,1-2H3,(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20586
PNG
(2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2
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n/an/a 19n/a 16.5n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |t:11|
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/a25



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))
BDBM50324316
PNG
(CHEMBL1214929 | N*1*-(3-Pyridin-4-yl[2,6]naphthyri...)
Show SMILES NCCNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C15H15N5/c16-4-8-19-15-13-3-7-18-10-12(13)9-14(20-15)11-1-5-17-6-2-11/h1-3,5-7,9-10H,4,8,16H2,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCdelta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity a...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 21n/a 32n/an/an/a25



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM20585
PNG
(2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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n/an/a 21n/a 10.7n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 22n/a 2.40n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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