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Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'van eis' and Initial = 'mj'   
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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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0.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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1n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235283
PNG
(CHEMBL4102228)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235283
PNG
(CHEMBL4102228)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076187
PNG
(CHEMBL3416027 | US9290481, 1.4)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-4-1-2-5-14(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-6-12-10(13)8-9-21-12/h3,6-9,11,14,21H,1-2,4-5,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,14+/s2
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076190
PNG
(CHEMBL3416023)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/s2
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
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/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235292
PNG
(CHEMBL4085837)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
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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n/an/a 2n/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
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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Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235287
PNG
(CHEMBL4089217)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN4CCC4)cc23)c2ccccc12 |t:4|
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
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 2.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235286
PNG
(CHEMBL4083319)
Show SMILES CC(C)NCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:14|
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n/an/a 2.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
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n/an/a 2.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235286
PNG
(CHEMBL4083319)
Show SMILES CC(C)NCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:14|
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235285
PNG
(CHEMBL4101316)
Show SMILES COCCNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:15|
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n/an/a 3.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
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n/an/a 3.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from dopamine transporter


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235292
PNG
(CHEMBL4085837)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 3.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235287
PNG
(CHEMBL4089217)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN4CCC4)cc23)c2ccccc12 |t:4|
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Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235284
PNG
(CHEMBL4064291)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 3.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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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 Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]dopamine uptake


Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235292
PNG
(CHEMBL4085837)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 4.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235281
PNG
(CHEMBL4089665)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc3ccc(CN)cc23)c2ccccc12 |t:4|
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n/an/a 4.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
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 Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKC-eta after 60 mins by 33P-ATP incorporation assay


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013160
PNG
(CHEMBL3262355)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C21H23N9O/c22-15-6-1-2-7-16(15)28-18-11-17-19(21(31)24-12-23-17)20(29-18)27-13-4-3-5-14(10-13)30-25-8-9-26-30/h3-5,8-12,15-16H,1-2,6-7,22H2,(H,23,24,31)(H2,27,28,29)/t15-,16+/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 Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
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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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))
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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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 Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK-2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate after 40 mins by scintillation counting analysis


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076188
PNG
(CHEMBL3416025)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C18H22N10O/c19-13-6-1-2-7-14(13)24-18-25-17(15(16(20)29)26-27-18)23-11-4-3-5-12(10-11)28-21-8-9-22-28/h3-5,8-10,13-14H,1-2,6-7,19H2,(H2,20,29)(H2,23,24,25,27)/t13-,14+/s2
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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 Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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, 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, PKC; classical/novel


(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/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235284
PNG
(CHEMBL4064291)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 6.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Protein kinase N1


(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 7n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PKN-1 (unknown origin)


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Protein kinase N2


(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 7n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKN-2 using AKRRRLSSLRA as substrate after 40 mins by scintillation counting analysis


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50365218
PNG
(CHEMBL1956071 | GSK screening, 29)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK-2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate after 40 mins by scintillation counting analysis


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50235292
PNG
(CHEMBL4085837)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 7.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
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, 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, 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
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