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Compile Data Set for Download or QSAR

Found 939 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type'   
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 theta type


(Homo sapiens (human))
BDBM25558
PNG
(4-arylamino-3-pyridinecarbonitrile, 4p | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26)
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PubMed
79 -40.1 70n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25543
PNG
(4-[(3-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)py...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Br)c1
Show InChI InChI=1S/C20H16BrN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)
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4.90E+3 -30.0 4.60E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25546
PNG
(4-arylamino-3-pyridinecarbonitrile, 4d | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(F)c1
Show InChI InChI=1S/C20H16FN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)
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PubMed
n/an/a 1.40E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25547
PNG
(4-arylamino-3-pyridinecarbonitrile, 4e | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H21N3O3/c1-30-24-12-11-18(13-25(24)31-2)23-17-28-16-19(15-27)26(23)29-20-7-6-10-22(14-20)32-21-8-4-3-5-9-21/h3-14,16-17H,1-2H3,(H,28,29)
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n/an/a>3.00E+4n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25548
PNG
(4-arylamino-3-pyridinecarbonitrile, 4f | 4-{[3-(be...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H23N3O3/c1-31-25-12-11-20(13-26(25)32-2)24-17-29-16-21(15-28)27(24)30-22-9-6-10-23(14-22)33-18-19-7-4-3-5-8-19/h3-14,16-17H,18H2,1-2H3,(H,29,30)
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n/an/a>3.00E+4n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25549
PNG
(4-[(4-chlorophenyl)amino]-5-(3,4-dimethoxyphenyl)p...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O2/c1-25-18-8-3-13(9-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-6-4-15(21)5-7-16/h3-9,11-12H,1-2H3,(H,23,24)
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PubMed
n/an/a 2.80E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25550
PNG
(4-arylamino-3-pyridinecarbonitrile, 4h | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(C)cc1
Show InChI InChI=1S/C21H19N3O2/c1-14-4-7-17(8-5-14)24-21-16(11-22)12-23-13-18(21)15-6-9-19(25-2)20(10-15)26-3/h4-10,12-13H,1-3H3,(H,23,24)
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n/an/a 900n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25551
PNG
(4-arylamino-3-pyridinecarbonitrile, 4i | 5-(3,4-di...)
Show SMILES COc1ccc(Nc2c(cncc2-c2ccc(OC)c(OC)c2)C#N)cc1
Show InChI InChI=1S/C21H19N3O3/c1-25-17-7-5-16(6-8-17)24-21-15(11-22)12-23-13-18(21)14-4-9-19(26-2)20(10-14)27-3/h4-10,12-13H,1-3H3,(H,23,24)
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n/an/a 400n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25552
PNG
(4-arylamino-3-pyridinecarbonitrile, 4j | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H21N3O3/c1-30-24-13-8-18(14-25(24)31-2)23-17-28-16-19(15-27)26(23)29-20-9-11-22(12-10-20)32-21-6-4-3-5-7-21/h3-14,16-17H,1-2H3,(H,28,29)
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PubMed
n/an/a 8.40E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25553
PNG
(4-[(2,4-dichlorophenyl)amino]-5-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H15Cl2N3O2/c1-26-18-6-3-12(7-19(18)27-2)15-11-24-10-13(9-23)20(15)25-17-5-4-14(21)8-16(17)22/h3-8,10-11H,1-2H3,(H,24,25)
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n/an/a 80n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25554
PNG
(4-arylamino-3-pyridinecarbonitrile, 4l | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(C)cc1C
Show InChI InChI=1S/C22H21N3O2/c1-14-5-7-19(15(2)9-14)25-22-17(11-23)12-24-13-18(22)16-6-8-20(26-3)21(10-16)27-4/h5-10,12-13H,1-4H3,(H,24,25)
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n/an/a 160n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25555
PNG
(4-[(2,5-dichlorophenyl)amino]-5-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H15Cl2N3O2/c1-26-18-6-3-12(7-19(18)27-2)15-11-24-10-13(9-23)20(15)25-17-8-14(21)4-5-16(17)22/h3-8,10-11H,1-2H3,(H,24,25)
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n/an/a 470n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25556
PNG
(4-[(3,4-dichlorophenyl)amino]-5-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2N3O2/c1-26-18-6-3-12(7-19(18)27-2)15-11-24-10-13(9-23)20(15)25-14-4-5-16(21)17(22)8-14/h3-8,10-11H,1-2H3,(H,24,25)
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n/an/a 2.40E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25557
PNG
(4-arylamino-3-pyridinecarbonitrile, 4o | 5-(3,4-di...)
Show SMILES COc1ccc(Nc2c(cncc2-c2ccc(OC)c(OC)c2)C#N)cc1OC
Show InChI InChI=1S/C22H21N3O4/c1-26-18-7-5-14(9-20(18)28-3)17-13-24-12-15(11-23)22(17)25-16-6-8-19(27-2)21(10-16)29-4/h5-10,12-13H,1-4H3,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25559
PNG
(4-arylamino-3-pyridinecarbonitrile, 4q | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-4-15(9-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-5-3-14-7-8-25-19(14)10-17/h3-10,12-13,25H,1-2H3,(H,24,26)
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n/an/a 2.20E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25560
PNG
(4-(2,3-dihydro-1H-inden-5-ylamino)-5-(3,4-dimethox...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2CCCc2c1
Show InChI InChI=1S/C23H21N3O2/c1-27-21-9-7-17(11-22(21)28-2)20-14-25-13-18(12-24)23(20)26-19-8-6-15-4-3-5-16(15)10-19/h6-11,13-14H,3-5H2,1-2H3,(H,25,26)
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n/an/a 2.00E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


J Med Chem 51: 5958-63 (2008)


Article DOI: 10.1021/jm800214a
BindingDB Entry DOI: 10.7270/Q21V5C8K
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25558
PNG
(4-arylamino-3-pyridinecarbonitrile, 4p | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26)
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n/an/a 70n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM25559
PNG
(4-arylamino-3-pyridinecarbonitrile, 4q | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-4-15(9-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-5-3-14-7-8-25-19(14)10-17/h3-10,12-13,25H,1-2H3,(H,24,26)
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n/an/a 2.20E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29816
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 1c...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H18N4O2/c1-27-20-7-6-14(10-21(20)28-2)17-13-24-12-15(11-23)22(17)26-19-5-3-4-18-16(19)8-9-25-18/h3-10,12-13,25H,1-2H3,(H,24,26)
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n/an/a 13n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29817
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 7a)
Show SMILES COCCOc1cc(ccc1OC)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C24H22N4O3/c1-29-10-11-31-23-12-16(6-7-22(23)30-2)19-15-26-14-17(13-25)24(19)28-21-5-3-4-20-18(21)8-9-27-20/h3-9,12,14-15,27H,10-11H2,1-2H3,(H,26,28)
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n/an/a 63n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29818
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 7b)
Show SMILES COCCOc1cc(ccc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C24H22N4O3/c1-29-9-10-31-23-12-16(3-6-22(23)30-2)20-15-26-14-18(13-25)24(20)28-19-4-5-21-17(11-19)7-8-27-21/h3-8,11-12,14-15,27H,9-10H2,1-2H3,(H,26,28)
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n/an/a 320n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29819
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 7c)
Show SMILES COCCOc1cc(ccc1OC)-c1cncc(C#N)c1Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C24H22N4O3/c1-29-9-10-31-23-11-17(4-6-22(23)30-2)20-15-26-14-18(13-25)24(20)28-19-5-3-16-7-8-27-21(16)12-19/h3-8,11-12,14-15,27H,9-10H2,1-2H3,(H,26,28)
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n/an/a 6.30E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29820
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 7d)
Show SMILES COCCOc1cccc(c1)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C23H20N4O2/c1-28-10-11-29-18-5-2-4-16(12-18)20-15-25-14-17(13-24)23(20)27-22-7-3-6-21-19(22)8-9-26-21/h2-9,12,14-15,26H,10-11H2,1H3,(H,25,27)
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n/an/a 32n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29821
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES N#Cc1cncc(-c2cccc(OCCN3CCCC3)c2)c1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C26H25N5O/c27-16-20-17-28-18-23(26(20)30-25-8-4-7-24-22(25)9-10-29-24)19-5-3-6-21(15-19)32-14-13-31-11-1-2-12-31/h3-10,15,17-18,29H,1-2,11-14H2,(H,28,30)
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n/an/a 29n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29822
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES N#Cc1cncc(-c2cccc(OCCN3CCCCC3)c2)c1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H27N5O/c28-17-21-18-29-19-24(27(21)31-26-9-5-8-25-23(26)10-11-30-25)20-6-4-7-22(16-20)33-15-14-32-12-2-1-3-13-32/h4-11,16,18-19,30H,1-3,12-15H2,(H,29,31)
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n/an/a 60n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29823
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C26H25N5O2/c27-16-20-17-28-18-23(26(20)30-25-6-2-5-24-22(25)7-8-29-24)19-3-1-4-21(15-19)33-14-11-31-9-12-32-13-10-31/h1-8,15,17-18,29H,9-14H2,(H,28,30)
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n/an/a 17n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29824
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES CN1CCN(CCOc2cccc(c2)-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C27H28N6O/c1-32-10-12-33(13-11-32)14-15-34-22-5-2-4-20(16-22)24-19-29-18-21(17-28)27(24)31-26-7-3-6-25-23(26)8-9-30-25/h2-9,16,18-19,30H,10-15H2,1H3,(H,29,31)
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n/an/a 18n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29825
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES N#Cc1cncc(-c2cccc(OCCN3CCCC3)c2)c1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H25N5O/c27-16-21-17-28-18-24(26(21)30-22-6-7-25-20(14-22)8-9-29-25)19-4-3-5-23(15-19)32-13-12-31-10-1-2-11-31/h3-9,14-15,17-18,29H,1-2,10-13H2,(H,28,30)
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n/an/a 190n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29826
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H25N5O2/c27-16-21-17-28-18-24(26(21)30-22-4-5-25-20(14-22)6-7-29-25)19-2-1-3-23(15-19)33-13-10-31-8-11-32-12-9-31/h1-7,14-15,17-18,29H,8-13H2,(H,28,30)
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n/an/a 200n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM29827
PNG
(4-indolylamino-5-phenyl-3-pyridinecarbonitrile, 12...)
Show SMILES N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C26H25N5O2/c27-16-21-17-28-18-24(26(21)30-22-5-4-19-6-7-29-25(19)15-22)20-2-1-3-23(14-20)33-13-10-31-8-11-32-12-9-31/h1-7,14-15,17-18,29H,8-13H2,(H,28,30)
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n/an/a 9.50E+3n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem Lett 19: 2461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.053
BindingDB Entry DOI: 10.7270/Q21R6NVV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35116
PNG
(5-vinyl-3-pyridinecarbonitrile, 4a)
Show SMILES Cc1c(Nc2c(\C=C\CN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H25N5/c1-17-20-9-10-26-22(20)8-7-21(17)27-23-18(15-25-16-19(23)14-24)6-5-13-28-11-3-2-4-12-28/h5-10,15-16,26H,2-4,11-13H2,1H3,(H,25,27)/b6-5+
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n/an/a 190n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35117
PNG
(5-vinyl-3-pyridinecarbonitrile, 4b)
Show SMILES Cc1c(Nc2c(\C=C\CCN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C24H27N5/c1-18-21-10-11-27-23(21)9-8-22(18)28-24-19(16-26-17-20(24)15-25)7-3-6-14-29-12-4-2-5-13-29/h3,7-11,16-17,27H,2,4-6,12-14H2,1H3,(H,26,28)/b7-3+
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n/an/a 35n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35118
PNG
(5-vinyl-3-pyridinecarbonitrile, 4c)
Show SMILES Cc1c(Nc2c(\C=C\CCCN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C25H29N5/c1-19-22-11-12-28-24(22)10-9-23(19)29-25-20(17-27-18-21(25)16-26)8-4-2-5-13-30-14-6-3-7-15-30/h4,8-12,17-18,28H,2-3,5-7,13-15H2,1H3,(H,27,29)/b8-4+
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n/an/a 19n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35119
PNG
(5-vinyl-3-pyridinecarbonitrile, 11a)
Show SMILES Cc1c(Nc2c(\C=C\CN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C22H23N5O/c1-16-19-6-7-25-21(19)5-4-20(16)26-22-17(14-24-15-18(22)13-23)3-2-8-27-9-11-28-12-10-27/h2-7,14-15,25H,8-12H2,1H3,(H,24,26)/b3-2+
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n/an/a 51n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35120
PNG
(5-vinyl-3-pyridinecarbonitrile, 11b)
Show SMILES Cc1c(Nc2c(\C=C\CCN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H25N5O/c1-17-20-7-8-26-22(20)6-5-21(17)27-23-18(15-25-16-19(23)14-24)4-2-3-9-28-10-12-29-13-11-28/h2,4-8,15-16,26H,3,9-13H2,1H3,(H,25,27)/b4-2+
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n/an/a 16n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35121
PNG
(5-vinyl-3-pyridinecarbonitrile, 11c)
Show SMILES Cc1c(Nc2c(\C=C\CCCN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C24H27N5O/c1-18-21-8-9-27-23(21)7-6-22(18)28-24-19(16-26-17-20(24)15-25)5-3-2-4-10-29-11-13-30-14-12-29/h3,5-9,16-17,27H,2,4,10-14H2,1H3,(H,26,28)/b5-3+
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n/an/a 34n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35122
PNG
(5-vinyl-3-pyridinecarbonitrile, 12a)
Show SMILES CN1CCN(C\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C23H26N6/c1-17-20-7-8-26-22(20)6-5-21(17)27-23-18(15-25-16-19(23)14-24)4-3-9-29-12-10-28(2)11-13-29/h3-8,15-16,26H,9-13H2,1-2H3,(H,25,27)/b4-3+
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n/an/a 31n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35123
PNG
(5-vinyl-3-pyridinecarbonitrile, 12b)
Show SMILES CN1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C24H28N6/c1-18-21-8-9-27-23(21)7-6-22(18)28-24-19(16-26-17-20(24)15-25)5-3-4-10-30-13-11-29(2)12-14-30/h3,5-9,16-17,27H,4,10-14H2,1-2H3,(H,26,28)/b5-3+
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n/an/a 2.20n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35124
PNG
(5-vinyl-3-pyridinecarbonitrile, 12c)
Show SMILES CN1CCN(CCC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C25H30N6/c1-19-22-9-10-28-24(22)8-7-23(19)29-25-20(17-27-18-21(25)16-26)6-4-3-5-11-31-14-12-30(2)13-15-31/h4,6-10,17-18,28H,3,5,11-15H2,1-2H3,(H,27,29)/b6-4+
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n/an/a 6.40n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35125
PNG
(5-vinyl-3-pyridinecarbonitrile, 13a)
Show SMILES Cc1c(Nc2c(\C=C\CN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C22H24N6/c1-16-19-6-7-26-21(19)5-4-20(16)27-22-17(14-25-15-18(22)13-23)3-2-10-28-11-8-24-9-12-28/h2-7,14-15,24,26H,8-12H2,1H3,(H,25,27)/b3-2+
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n/an/a 10n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35126
PNG
(5-vinyl-3-pyridinecarbonitrile, 13b)
Show SMILES Cc1c(Nc2c(\C=C\CCN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H26N6/c1-17-20-7-8-27-22(20)6-5-21(17)28-23-18(15-26-16-19(23)14-24)4-2-3-11-29-12-9-25-10-13-29/h2,4-8,15-16,25,27H,3,9-13H2,1H3,(H,26,28)/b4-2+
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n/an/a 4n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35127
PNG
(5-vinyl-3-pyridinecarbonitrile, 13c)
Show SMILES Cc1c(Nc2c(\C=C\CCCN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C24H28N6/c1-18-21-8-9-28-23(21)7-6-22(18)29-24-19(16-27-17-20(24)15-25)5-3-2-4-12-30-13-10-26-11-14-30/h3,5-9,16-17,26,28H,2,4,10-14H2,1H3,(H,27,29)/b5-3+
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n/an/a 2.80n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35128
PNG
(5-vinyl-3-pyridinecarbonitrile, 14a)
Show SMILES Cc1c(Nc2c(\C=C\CN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H26N6/c1-16-20-6-9-27-22(20)5-4-21(16)28-23-17(14-26-15-18(23)13-24)3-2-10-29-11-7-19(25)8-12-29/h2-6,9,14-15,19,27H,7-8,10-12,25H2,1H3,(H,26,28)/b3-2+
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n/an/a 3.60n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35129
PNG
(5-vinyl-3-pyridinecarbonitrile, 14b)
Show SMILES Cc1c(Nc2c(\C=C\CCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C24H28N6/c1-17-21-7-10-28-23(21)6-5-22(17)29-24-18(15-27-16-19(24)14-25)4-2-3-11-30-12-8-20(26)9-13-30/h2,4-7,10,15-16,20,28H,3,8-9,11-13,26H2,1H3,(H,27,29)/b4-2+
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n/an/a 0.880n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35130
PNG
(5-vinyl-3-pyridinecarbonitrile, 14c)
Show SMILES Cc1c(Nc2c(\C=C\CCCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C25H30N6/c1-18-22-8-11-29-24(22)7-6-23(18)30-25-19(16-28-17-20(25)15-26)5-3-2-4-12-31-13-9-21(27)10-14-31/h3,5-8,11,16-17,21,29H,2,4,9-10,12-14,27H2,1H3,(H,28,30)/b5-3+
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n/an/a 5.20n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35131
PNG
(5-vinyl-3-pyridinecarbonitrile, 15a)
Show SMILES Cc1c(Nc2c(\C=C\CN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H25N5O/c1-16-20-6-9-26-22(20)5-4-21(16)27-23-17(14-25-15-18(23)13-24)3-2-10-28-11-7-19(29)8-12-28/h2-6,9,14-15,19,26,29H,7-8,10-12H2,1H3,(H,25,27)/b3-2+
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n/an/a 140n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35132
PNG
(5-vinyl-3-pyridinecarbonitrile, 15b)
Show SMILES Cc1c(Nc2c(\C=C\CCN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C24H27N5O/c1-17-21-7-10-27-23(21)6-5-22(17)28-24-18(15-26-16-19(24)14-25)4-2-3-11-29-12-8-20(30)9-13-29/h2,4-7,10,15-16,20,27,30H,3,8-9,11-13H2,1H3,(H,26,28)/b4-2+
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n/an/a 6n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35133
PNG
(5-vinyl-3-pyridinecarbonitrile, 15c)
Show SMILES Cc1c(Nc2c(\C=C\CCCN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C25H29N5O/c1-18-22-8-11-28-24(22)7-6-23(18)29-25-19(16-27-17-20(25)15-26)5-3-2-4-12-30-13-9-21(31)10-14-30/h3,5-8,11,16-17,21,28,31H,2,4,9-10,12-14H2,1H3,(H,27,29)/b5-3+
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n/an/a 11n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35134
PNG
(5-vinyl-3-pyridinecarbonitrile, 16)
Show SMILES CNC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C25H30N6/c1-18-22-8-11-29-24(22)7-6-23(18)30-25-19(16-28-17-20(25)15-26)5-3-4-12-31-13-9-21(27-2)10-14-31/h3,5-8,11,16-17,21,27,29H,4,9-10,12-14H2,1-2H3,(H,28,30)/b5-3+
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n/an/a 9.30n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM35135
PNG
(5-vinyl-3-pyridinecarbonitrile, 17)
Show SMILES CN(C)C1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C26H32N6/c1-19-23-9-12-29-25(23)8-7-24(19)30-26-20(17-28-18-21(26)16-27)6-4-5-13-32-14-10-22(11-15-32)31(2)3/h4,6-9,12,17-18,22,29H,5,10-11,13-15H2,1-3H3,(H,28,30)/b6-4+
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n/an/a 4.90n/an/an/an/a7.222



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
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