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PubMed code 18783200

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C 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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PubMed
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))
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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PubMed
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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PubMed
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))
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))
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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PubMed
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))
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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PubMed
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))
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))
BDBM25544
PNG
(4-arylamino-3-pyridinecarbonitrile, 4b | 5-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccccc1
Show InChI InChI=1S/C20H17N3O2/c1-24-18-9-8-14(10-19(18)25-2)17-13-22-12-15(11-21)20(17)23-16-6-4-3-5-7-16/h3-10,12-13H,1-2H3,(H,22,23)
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PubMed
n/an/a 1.60E+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))
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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PubMed
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))
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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PubMed
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))
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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PubMed
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))
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))
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))
BDBM25545
PNG
(4-[(3-chlorophenyl)amino]-5-(3,4-dimethoxyphenyl)p...)
Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Cl)c1
Show InChI InChI=1S/C20H16ClN3O2/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 3.90E+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))
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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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))
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
* indicates data uncertainty>20%