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PubMed code 25000588

Compile data set for download or QSAR
Found 72 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))
BDBM50028445
PNG
(CHEMBL3355112)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24|
Show InChI InChI=1/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/s2
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n/an/a 23n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 49n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 49n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049441
PNG
(CHEMBL3356470)
Show SMILES C[C@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 55n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049442
PNG
(CHEMBL3356469)
Show SMILES CC1N2C(COc3cc(c(CC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Show InChI InChI=1/C16H17F3N4O2/c1-8-15(24)22-21-14-7-25-13-4-11(16(17,18)19)10(2-9-5-20-6-9)3-12(13)23(8)14/h3-4,8-9,20H,2,5-7H2,1H3,(H,22,24)
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n/an/a 59n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049444
PNG
(CHEMBL3356467)
Show SMILES CC1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)
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n/an/a 67n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 87n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCbeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence i...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049446
PNG
(CHEMBL3356465)
Show SMILES CC1N2C(COc3cc(F)c(NC4CNC4)cc23)=NNC1=O |c:20|
Show InChI InChI=1/C14H16FN5O2/c1-7-14(21)19-18-13-6-22-12-2-9(15)10(3-11(12)20(7)13)17-8-4-16-5-8/h2-3,7-8,16-17H,4-6H2,1H3,(H,19,21)
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n/an/a 100n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049430
PNG
(CHEMBL3356464)
Show SMILES CC1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)
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n/an/a 110n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049445
PNG
(CHEMBL3356466)
Show SMILES CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1 |t:8|
Show InChI InChI=1/C17H23N5O2/c1-9(2)12-4-15-14(5-13(12)19-11-6-18-7-11)22-10(3)17(23)21-20-16(22)8-24-15/h4-5,9-11,18-19H,6-8H2,1-3H3,(H,21,23)
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n/an/a 130n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C epsilon


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 140n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCepsilon expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescenc...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049443
PNG
(CHEMBL3356468)
Show SMILES CC1N2C(COc3cc(c(OC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Show InChI InChI=1/C15H15F3N4O3/c1-7-14(23)21-20-13-6-24-12-2-9(15(16,17)18)11(3-10(12)22(7)13)25-8-4-19-5-8/h2-3,7-8,19H,4-6H2,1H3,(H,21,23)
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n/an/a 190n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049434
PNG
(CHEMBL3356461)
Show SMILES CC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O |c:19|
Show InChI InChI=1/C14H17N5O2/c1-8-14(20)18-17-13-7-21-12-3-2-9(4-11(12)19(8)13)16-10-5-15-6-10/h2-4,8,10,15-16H,5-7H2,1H3,(H,18,20)
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n/an/a 230n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049436
PNG
(CHEMBL3356475)
Show SMILES C[C@@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 320n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 330n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCdelta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049440
PNG
(CHEMBL3356471)
Show SMILES C[C@@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 390n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C epsilon


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCepsilon expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescenc...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 470n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCdelta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50049441
PNG
(CHEMBL3356470)
Show SMILES C[C@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 520n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCbeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence i...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50049441
PNG
(CHEMBL3356470)
Show SMILES C[C@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 750n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCdelta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049438
PNG
(CHEMBL3356473)
Show SMILES C[C@@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 760n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049433
PNG
(CHEMBL3352857)
Show SMILES CCC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O |c:20|
Show InChI InChI=1/C15H19N5O2/c1-2-11-15(21)19-18-14-8-22-13-4-3-9(5-12(13)20(11)14)17-10-6-16-7-10/h3-5,10-11,16-17H,2,6-8H2,1H3,(H,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053787
PNG
(CHEMBL3356085)
Show SMILES O=C1CN2C(COc3ccc(NC4CNC4)cc23)=NN1 |c:20|
Show InChI InChI=1S/C13H15N5O2/c19-13-6-18-10-3-8(15-9-4-14-5-9)1-2-11(10)20-7-12(18)16-17-13/h1-3,9,14-15H,4-7H2,(H,17,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCbeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence i...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049442
PNG
(CHEMBL3356469)
Show SMILES CC1N2C(COc3cc(c(CC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Show InChI InChI=1/C16H17F3N4O2/c1-8-15(24)22-21-14-7-25-13-4-11(16(17,18)19)10(2-9-5-20-6-9)3-12(13)23(8)14/h3-4,8-9,20H,2,5-7H2,1H3,(H,22,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50028445
PNG
(CHEMBL3355112)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24|
Show InChI InChI=1/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049444
PNG
(CHEMBL3356467)
Show SMILES CC1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049445
PNG
(CHEMBL3356466)
Show SMILES CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1 |t:8|
Show InChI InChI=1/C17H23N5O2/c1-9(2)12-4-15-14(5-13(12)19-11-6-18-7-11)22-10(3)17(23)21-20-16(22)8-24-15/h4-5,9-11,18-19H,6-8H2,1-3H3,(H,21,23)
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n/an/a 2.20E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049436
PNG
(CHEMBL3356475)
Show SMILES C[C@@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049443
PNG
(CHEMBL3356468)
Show SMILES CC1N2C(COc3cc(c(OC4CNC4)cc23)C(F)(F)F)=NNC1=O |c:23|
Show InChI InChI=1/C15H15F3N4O3/c1-7-14(23)21-20-13-6-24-12-2-9(15(16,17)18)11(3-10(12)22(7)13)25-8-4-19-5-8/h2-3,7-8,19H,4-6H2,1H3,(H,21,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049440
PNG
(CHEMBL3356471)
Show SMILES C[C@@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053777
PNG
(CHEMBL3356447)
Show SMILES O=C1CN2C(COc3ccc(NC4CCNC4)cc23)=NN1 |c:21|
Show InChI InChI=1/C14H17N5O2/c20-14-7-19-11-5-9(16-10-3-4-15-6-10)1-2-12(11)21-8-13(19)17-18-14/h1-2,5,10,15-16H,3-4,6-8H2,(H,18,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049432
PNG
(CHEMBL3356462)
Show SMILES O=C1NN=C2COc3ccc(NC4CNC4)cc3N2C1C1CC1 |t:3|
Show InChI InChI=1/C16H19N5O2/c22-16-15(9-1-2-9)21-12-5-10(18-11-6-17-7-11)3-4-13(12)23-8-14(21)19-20-16/h3-5,9,11,15,17-18H,1-2,6-8H2,(H,20,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049449
PNG
(CHEMBL3356458)
Show SMILES O=C(Nc1ccc2OCC3=NNC(=O)CN3c2c1)C1CCNCC1 |t:9|
Show InChI InChI=1S/C16H19N5O3/c22-15-8-21-12-7-11(18-16(23)10-3-5-17-6-4-10)1-2-13(12)24-9-14(21)19-20-15/h1-2,7,10,17H,3-6,8-9H2,(H,18,23)(H,20,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049430
PNG
(CHEMBL3356464)
Show SMILES CC1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)
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n/an/a 4.10E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049448
PNG
(CHEMBL3356459)
Show SMILES CN1CCC(CC1)C(=O)Nc1ccc2OCC3=NNC(=O)CN3c2c1 |t:17|
Show InChI InChI=1S/C17H21N5O3/c1-21-6-4-11(5-7-21)17(24)18-12-2-3-14-13(8-12)22-9-16(23)20-19-15(22)10-25-14/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)(H,20,23)
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n/an/a 4.50E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 4.60E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049441
PNG
(CHEMBL3356470)
Show SMILES C[C@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 5.10E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049433
PNG
(CHEMBL3352857)
Show SMILES CCC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O |c:20|
Show InChI InChI=1/C15H19N5O2/c1-2-11-15(21)19-18-14-8-22-13-4-3-9(5-12(13)20(11)14)17-10-6-16-7-10/h3-5,10-11,16-17H,2,6-8H2,1H3,(H,19,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049438
PNG
(CHEMBL3356473)
Show SMILES C[C@@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 6.60E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049446
PNG
(CHEMBL3356465)
Show SMILES CC1N2C(COc3cc(F)c(NC4CNC4)cc23)=NNC1=O |c:20|
Show InChI InChI=1/C14H16FN5O2/c1-7-14(21)19-18-13-6-22-12-2-9(15)10(3-11(12)20(7)13)17-8-4-16-5-8/h2-3,7-8,16-17H,4-6H2,1H3,(H,19,21)
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n/an/a 6.90E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50053787
PNG
(CHEMBL3356085)
Show SMILES O=C1CN2C(COc3ccc(NC4CNC4)cc23)=NN1 |c:20|
Show InChI InChI=1S/C13H15N5O2/c19-13-6-18-10-3-8(15-9-4-14-5-9)1-2-11(10)20-7-12(18)16-17-13/h1-3,9,14-15H,4-7H2,(H,17,19)
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n/an/a 7.10E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C gamma


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 7.80E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCgamma expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 8.50E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCzeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence i...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053760
PNG
(CHEMBL3356450)
Show SMILES O=C1CN2C(COc3ccc(NC4CCCNCC4)cc23)=NN1 |c:23|
Show InChI InChI=1/C16H21N5O2/c22-16-9-21-13-8-12(18-11-2-1-6-17-7-5-11)3-4-14(13)23-10-15(21)19-20-16/h3-4,8,11,17-18H,1-2,5-7,9-10H2,(H,20,22)
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n/an/a 8.90E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049434
PNG
(CHEMBL3356461)
Show SMILES CC1N2C(COc3ccc(NC4CNC4)cc23)=NNC1=O |c:19|
Show InChI InChI=1/C14H17N5O2/c1-8-14(20)18-17-13-7-21-12-3-2-9(4-11(12)19(8)13)16-10-5-15-6-10/h2-4,8,10,15-16H,5-7H2,1H3,(H,18,20)
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n/an/a 9.40E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C gamma


(Homo sapiens (Human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26|
Show InChI InChI=1/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/s2
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n/an/a 1.30E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCgamma expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053773
PNG
(CHEMBL3356448)
Show SMILES O=C1CN2C(COc3ccc(NC4CCCNC4)cc23)=NN1 |c:22|
Show InChI InChI=1/C15H19N5O2/c21-15-8-20-12-6-10(17-11-2-1-5-16-7-11)3-4-13(12)22-9-14(20)18-19-15/h3-4,6,11,16-17H,1-2,5,7-9H2,(H,19,21)
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049453
PNG
(CHEMBL3356084)
Show SMILES CN(C)Cc1ccc2N3CC(=O)NN=C3COc2c1 |c:13|
Show InChI InChI=1S/C13H16N4O2/c1-16(2)6-9-3-4-10-11(5-9)19-8-12-14-15-13(18)7-17(10)12/h3-5H,6-8H2,1-2H3,(H,15,18)
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n/an/a 1.60E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053759
PNG
(CHEMBL3356451)
Show SMILES O=C1CN2C(COc3ccc(NCC4CNC4)cc23)=NN1 |c:21|
Show InChI InChI=1S/C14H17N5O2/c20-14-7-19-11-3-10(16-6-9-4-15-5-9)1-2-12(11)21-8-13(19)17-18-14/h1-3,9,15-16H,4-8H2,(H,18,20)
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n/an/a 1.70E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053789
PNG
(CHEMBL3356454)
Show SMILES CC(N)CNc1ccc2OCC3=NNC(=O)CN3c2c1 |t:11|
Show InChI InChI=1/C13H17N5O2/c1-8(14)5-15-9-2-3-11-10(4-9)18-6-13(19)17-16-12(18)7-20-11/h2-4,8,15H,5-7,14H2,1H3,(H,17,19)
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n/an/a 1.80E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1 |c:14|
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
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n/an/a 1.90E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta by TR-FRET assay


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049451
PNG
(CHEMBL3356456)
Show SMILES O=C(Nc1ccc2OCC3=NNC(=O)CN3c2c1)C1CNC1 |t:9|
Show InChI InChI=1S/C14H15N5O3/c20-13-6-19-10-3-9(16-14(21)8-4-15-5-8)1-2-11(10)22-7-12(19)17-18-13/h1-3,8,15H,4-7H2,(H,16,21)(H,18,20)
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053788
PNG
(CHEMBL3356452)
Show SMILES O=C1CN2C(COc3ccc(NCC4CCNC4)cc23)=NN1 |c:22|
Show InChI InChI=1/C15H19N5O2/c21-15-8-20-12-5-11(17-7-10-3-4-16-6-10)1-2-13(12)22-9-14(20)18-19-15/h1-2,5,10,16-17H,3-4,6-9H2,(H,19,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053764
PNG
(CHEMBL3356449)
Show SMILES O=C1CN2C(COc3ccc(NC4CCNCC4)cc23)=NN1 |c:22|
Show InChI InChI=1S/C15H19N5O2/c21-15-8-20-12-7-11(17-10-3-5-16-6-4-10)1-2-13(12)22-9-14(20)18-19-15/h1-2,7,10,16-17H,3-6,8-9H2,(H,19,21)
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n/an/a 2.10E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C gamma


(Homo sapiens (Human))
BDBM50049441
PNG
(CHEMBL3356470)
Show SMILES C[C@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20|
Show InChI InChI=1/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/s2
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n/an/a 2.30E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCgamma expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50028445
PNG
(CHEMBL3355112)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24|
Show InChI InChI=1/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053790
PNG
(CHEMBL3356453)
Show SMILES O=C1CN2C(COc3ccc(NCC4CCNCC4)cc23)=NN1 |c:23|
Show InChI InChI=1S/C16H21N5O2/c22-16-9-21-13-7-12(18-8-11-3-5-17-6-4-11)1-2-14(13)23-10-15(21)19-20-16/h1-2,7,11,17-18H,3-6,8-10H2,(H,20,22)
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n/an/a 3.10E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50049437
PNG
(CHEMBL3356474)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23|
Show InChI InChI=1/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/s2
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n/an/a 3.30E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCzeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence i...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053784
PNG
(CHEMBL3356086)
Show SMILES O=C1CN2C(COc3ccc(NC4CCC4)cc23)=NN1 |c:20|
Show InChI InChI=1S/C14H16N4O2/c19-14-7-18-11-6-10(15-9-2-1-3-9)4-5-12(11)20-8-13(18)16-17-14/h4-6,9,15H,1-3,7-8H2,(H,17,19)
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n/an/a 3.80E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049450
PNG
(CHEMBL3356457)
Show SMILES O=C(Nc1ccc2OCC3=NNC(=O)CN3c2c1)C1CCNC1 |t:9|
Show InChI InChI=1/C15H17N5O3/c21-14-7-20-11-5-10(17-15(22)9-3-4-16-6-9)1-2-12(11)23-8-13(20)18-19-14/h1-2,5,9,16H,3-4,6-8H2,(H,17,22)(H,19,21)
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n/an/a 4.60E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049452
PNG
(CHEMBL3356455)
Show SMILES CN(C)CC(=O)Nc1ccc2OCC3=NNC(=O)CN3c2c1 |t:13|
Show InChI InChI=1S/C14H17N5O3/c1-18(2)6-13(20)15-9-3-4-11-10(5-9)19-7-14(21)17-16-12(19)8-22-11/h3-5H,6-8H2,1-2H3,(H,15,20)(H,17,21)
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n/an/a 4.60E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049447
PNG
(CHEMBL3356460)
Show SMILES O=C(CC1CCNCC1)Nc1ccc2OCC3=NNC(=O)CN3c2c1 |t:17|
Show InChI InChI=1S/C17H21N5O3/c23-16(7-11-3-5-18-6-4-11)19-12-1-2-14-13(8-12)22-9-17(24)21-20-15(22)10-25-14/h1-2,8,11,18H,3-7,9-10H2,(H,19,23)(H,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50053778
PNG
(CHEMBL3356446)
Show SMILES O=C1CN2C(COc3ccc(NC4COC4)cc23)=NN1 |c:20|
Show InChI InChI=1S/C13H14N4O3/c18-13-4-17-10-3-8(14-9-5-19-6-9)1-2-11(10)20-7-12(17)15-16-13/h1-3,9,14H,4-7H2,(H,16,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1 |c:14|
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
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n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049431
PNG
(CHEMBL3356463)
Show SMILES O=C1NN=C2COc3ccc(NC4CNC4)cc3N2C1c1ccccc1 |t:3|
Show InChI InChI=1/C19H19N5O2/c25-19-18(12-4-2-1-3-5-12)24-15-8-13(21-14-9-20-10-14)6-7-16(15)26-11-17(24)22-23-19/h1-8,14,18,20-21H,9-11H2,(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049432
PNG
(CHEMBL3356462)
Show SMILES O=C1NN=C2COc3ccc(NC4CNC4)cc3N2C1C1CC1 |t:3|
Show InChI InChI=1/C16H19N5O2/c22-16-15(9-1-2-9)21-12-5-10(18-11-6-17-7-11)3-4-13(12)23-8-14(21)19-20-16/h3-5,9,11,15,17-18H,1-2,6-8H2,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049431
PNG
(CHEMBL3356463)
Show SMILES O=C1NN=C2COc3ccc(NC4CNC4)cc3N2C1c1ccccc1 |t:3|
Show InChI InChI=1/C19H19N5O2/c25-19-18(12-4-2-1-3-5-12)24-15-8-13(21-14-9-20-10-14)6-7-16(15)26-11-17(24)22-23-19/h1-8,14,18,20-21H,9-11H2,(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1 |c:14|
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
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n/an/a 1.56E+5n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by TR-FRET assay


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1 |c:14|
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
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n/an/a 4.53E+5n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%