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PubMed code 19703774

Compile data set for download or QSAR
Found 56 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))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302036
PNG
(5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-y...)
Show SMILES CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C30H30N6O/c1-3-35-10-12-36(13-11-35)19-21-4-7-28-22(14-21)15-29(37-28)25-18-32-17-23(16-31)30(25)34-26-5-6-27-24(20(26)2)8-9-33-27/h4-9,14-15,17-18,33H,3,10-13,19H2,1-2H3,(H,32,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302047
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3sc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302045
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H27N5O/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302051
PNG
(5-(5-((cyclohexylamino)methyl)benzofuran-2-yl)-4-(...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNC4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C30H29N5O/c1-19-24-11-12-33-27(24)9-8-26(19)35-30-22(15-31)17-32-18-25(30)29-14-21-13-20(7-10-28(21)36-29)16-34-23-5-3-2-4-6-23/h7-14,17-18,23,33-34H,2-6,16H2,1H3,(H,32,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302035
PNG
(5-(5-((2,3-dihydroxypropylamino)methyl)benzofuran-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCC(O)CO)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H25N5O3/c1-16-21-6-7-31-24(21)4-3-23(16)32-27-19(10-28)12-30-14-22(27)26-9-18-8-17(2-5-25(18)35-26)11-29-13-20(34)15-33/h2-9,12,14,20,29,31,33-34H,11,13,15H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302033
PNG
(5-(5-((2-hydroxyethylamino)methyl)benzofuran-2-yl)...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCO)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302043
PNG
(5-(benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302034
PNG
(5-(5-((3-hydroxypropylamino)methyl)benzofuran-2-yl...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCCO)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H25N5O2/c1-17-21-7-9-31-24(21)5-4-23(17)32-27-20(13-28)15-30-16-22(27)26-12-19-11-18(3-6-25(19)34-26)14-29-8-2-10-33/h3-7,9,11-12,15-16,29,31,33H,2,8,10,14H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302037
PNG
(5-(5-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)me...)
Show SMILES CN(C)CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C32H35N7O/c1-22-26-8-9-35-29(26)6-5-28(22)36-32-25(18-33)19-34-20-27(32)31-17-24-16-23(4-7-30(24)40-31)21-39-14-12-38(13-15-39)11-10-37(2)3/h4-9,16-17,19-20,35H,10-15,21H2,1-3H3,(H,34,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302046
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3s2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H27N5S/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302049
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(pyrrolidin-1...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H25N5O/c1-18-22-8-9-31-25(22)6-5-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(4-7-26(20)34-27)17-33-10-2-3-11-33/h4-9,12-13,15-16,31H,2-3,10-11,17H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302040
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302046
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3s2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H27N5S/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302040
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302041
PNG
(5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H28N6O2/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)37-28)18-34-9-11-35(2,36)12-10-34/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302048
PNG
(5-(5-((dimethylamino)methyl)benzofuran-2-yl)-4-(4-...)
Show SMILES CN(C)Cc1ccc2oc(cc2c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
Show InChI InChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302047
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3sc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a 9.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302051
PNG
(5-(5-((cyclohexylamino)methyl)benzofuran-2-yl)-4-(...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNC4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C30H29N5O/c1-19-24-11-12-33-27(24)9-8-26(19)35-30-22(15-31)17-32-18-25(30)29-14-21-13-20(7-10-28(21)36-29)16-34-23-5-3-2-4-6-23/h7-14,17-18,23,33-34H,2-6,16H2,1H3,(H,32,35)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302033
PNG
(5-(5-((2-hydroxyethylamino)methyl)benzofuran-2-yl)...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCO)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302039
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(pyridin-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)c4ccccn4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C33H29N7O/c1-22-26-9-11-36-29(26)7-6-28(22)38-33-25(18-34)19-35-20-27(33)31-17-24-16-23(5-8-30(24)41-31)21-39-12-14-40(15-13-39)32-4-2-3-10-37-32/h2-11,16-17,19-20,36H,12-15,21H2,1H3,(H,35,38)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302050
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(morpholinome...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCOCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H25N5O2/c1-18-22-6-7-31-25(22)4-3-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-33-8-10-34-11-9-33/h2-7,12-13,15-16,31H,8-11,17H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302038
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(methylsu...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)S(C)(=O)=O)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H28N6O3S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)38-28)18-34-9-11-35(12-10-34)39(2,36)37/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Mus musculus)
BDBM50302040
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302036
PNG
(5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-y...)
Show SMILES CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C30H30N6O/c1-3-35-10-12-36(13-11-35)19-21-4-7-28-22(14-21)15-29(37-28)25-18-32-17-23(16-31)30(25)34-26-5-6-27-24(20(26)2)8-9-33-27/h4-9,14-15,17-18,33H,3,10-13,19H2,1-2H3,(H,32,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302035
PNG
(5-(5-((2,3-dihydroxypropylamino)methyl)benzofuran-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCC(O)CO)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H25N5O3/c1-16-21-6-7-31-24(21)4-3-23(16)32-27-19(10-28)12-30-14-22(27)26-9-18-8-17(2-5-25(18)35-26)11-29-13-20(34)15-33/h2-9,12,14,20,29,31,33-34H,11,13,15H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302037
PNG
(5-(5-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)me...)
Show SMILES CN(C)CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C32H35N7O/c1-22-26-8-9-35-29(26)6-5-28(22)36-32-25(18-33)19-34-20-27(32)31-17-24-16-23(4-7-30(24)40-31)21-39-14-12-38(13-15-39)11-10-37(2)3/h4-9,16-17,19-20,35H,10-15,21H2,1-3H3,(H,34,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302034
PNG
(5-(5-((3-hydroxypropylamino)methyl)benzofuran-2-yl...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCCO)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C27H25N5O2/c1-17-21-7-9-31-24(21)5-4-23(17)32-27-20(13-28)15-30-16-22(27)26-12-19-11-18(3-6-25(19)34-26)14-29-8-2-10-33/h3-7,9,11-12,15-16,29,31,33H,2,8,10,14H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Mus musculus)
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50302044
PNG
(5-(benzo[b]thiophen-2-yl)-4-(4-methyl-1H-indol-5-y...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3s2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H16N4S/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302045
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H27N5O/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a 33n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCeta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302049
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(pyrrolidin-1...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H25N5O/c1-18-22-8-9-31-25(22)6-5-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(4-7-26(20)34-27)17-33-10-2-3-11-33/h4-9,12-13,15-16,31H,2-3,10-11,17H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302048
PNG
(5-(5-((dimethylamino)methyl)benzofuran-2-yl)-4-(4-...)
Show SMILES CN(C)Cc1ccc2oc(cc2c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
Show InChI InChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302043
PNG
(5-(benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27)
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n/an/a 57n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302041
PNG
(5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H28N6O2/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)37-28)18-34-9-11-35(2,36)12-10-34/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a 110n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302050
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(morpholinome...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCOCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H25N5O2/c1-18-22-6-7-31-25(22)4-3-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-33-8-10-34-11-9-33/h2-7,12-13,15-16,31H,8-11,17H2,1H3,(H,30,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302038
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(methylsu...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)S(C)(=O)=O)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H28N6O3S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)38-28)18-34-9-11-35(12-10-34)39(2,36)37/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302039
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(pyridin-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)c4ccccn4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C33H29N7O/c1-22-26-9-11-36-29(26)7-6-28(22)38-33-25(18-34)19-35-20-27(33)31-17-24-16-23(5-8-30(24)41-31)21-39-12-14-40(15-13-39)32-4-2-3-10-37-32/h2-11,16-17,19-20,36H,12-15,21H2,1H3,(H,35,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50302044
PNG
(5-(benzo[b]thiophen-2-yl)-4-(4-methyl-1H-indol-5-y...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3s2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H16N4S/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27)
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n/an/a 154n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Mus musculus)
BDBM50302041
PNG
(5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C29H28N6O2/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)37-28)18-34-9-11-35(2,36)12-10-34/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50302042
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)
Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%