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Compile Data Set for Download or QSAR

Found 106 hits from AbbVie Bioresearch Center   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50028422
PNG
(CHEMBL3355138)
Show SMILES COc1ccc(c(F)c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C25H29FN4O3/c1-14-12-29(3)8-7-17(14)19-10-22-23(33-13-24-27-28-25(31)15(2)30(22)24)11-20(19)18-6-5-16(32-4)9-21(18)26/h5-6,9-11,14-15,17H,7-8,12-13H2,1-4H3,(H,28,31)/t14-,15+,17+/m0/s1
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n/an/a 2n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028420
PNG
(CHEMBL3355137)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1F
Show InChI InChI=1S/C25H29FN4O2/c1-14-5-6-18(21(26)9-14)20-11-23-22(10-19(20)17-7-8-29(4)12-15(17)2)30-16(3)25(31)28-27-24(30)13-32-23/h5-6,9-11,15-17H,7-8,12-13H2,1-4H3,(H,28,31)/t15-,16+,17+/m0/s1
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n/an/a 2n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028417
PNG
(CHEMBL3355134)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1c(F)cccc1F
Show InChI InChI=1S/C24H26F2N4O2/c1-13-11-29(3)8-7-15(13)16-9-20-21(10-17(16)23-18(25)5-4-6-19(23)26)32-12-22-27-28-24(31)14(2)30(20)22/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,31)/t13-,14+,15+/m0/s1
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n/an/a 2n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028439
PNG
(CHEMBL3355119)
Show SMILES C[C@H](c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F)C1(C)CN(C)C1
Show InChI InChI=1S/C24H27FN4O2/c1-14(24(3)12-28(4)13-24)17-9-20-21(10-18(17)16-7-5-6-8-19(16)25)31-11-22-26-27-23(30)15(2)29(20)22/h5-10,14-15H,11-13H2,1-4H3,(H,27,30)/t14-,15-/m1/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028433
PNG
(CHEMBL3355125)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)CC2(C)C)-c2ccccc2F)=NNC1=O
Show InChI InChI=1S/C25H29FN4O2/c1-15-24(31)28-27-23-13-32-22-12-17(16-7-5-6-8-20(16)26)18(11-21(22)30(15)23)19-9-10-29(4)14-25(19,2)3/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3,(H,28,31)/t15-,19?/m1/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028423
PNG
(CHEMBL3355127)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,16+/m0/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028443
PNG
(CHEMBL3355117)
Show SMILES C[C@H]1N2C(COc3cc(-c4ccccc4)c(cc23)N(C)C2(C)CN(C)C2)=NNC1=O
Show InChI InChI=1S/C23H27N5O2/c1-15-22(29)25-24-21-12-30-20-10-17(16-8-6-5-7-9-16)18(11-19(20)28(15)21)27(4)23(2)13-26(3)14-23/h5-11,15H,12-14H2,1-4H3,(H,25,29)/t15-/m1/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028442
PNG
(CHEMBL3355118)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)-c2ccccc2F)=NNC1=O
Show InChI InChI=1S/C23H26FN5O2/c1-14-22(30)26-25-21-11-31-20-9-16(15-7-5-6-8-17(15)24)18(10-19(20)29(14)21)28(4)23(2)12-27(3)13-23/h5-10,14H,11-13H2,1-4H3,(H,26,30)/t14-/m1/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028435
PNG
(CHEMBL3355123)
Show SMILES C[C@H]1CNCC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
Show InChI InChI=1S/C23H25FN4O2/c1-13-11-25-8-7-15(13)17-9-20-21(10-18(17)16-5-3-4-6-19(16)24)30-12-22-26-27-23(29)14(2)28(20)22/h3-6,9-10,13-15,25H,7-8,11-12H2,1-2H3,(H,27,29)/t13-,14+,15+/m0/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028419
PNG
(CHEMBL3355136)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H30N4O4/c1-15-13-29(3)7-6-18(15)20-11-21-23(34-14-25-27-28-26(31)16(2)30(21)25)12-19(20)17-4-5-22-24(10-17)33-9-8-32-22/h4-5,10-12,15-16,18H,6-9,13-14H2,1-3H3,(H,28,31)/t15-,16+,18+/m0/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028432
PNG
(CHEMBL3355126)
Show SMILES CCN1CC[C@H]([C@@H](C)C1)c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
Show InChI InChI=1S/C25H29FN4O2/c1-4-29-10-9-17(15(2)13-29)19-11-22-23(12-20(19)18-7-5-6-8-21(18)26)32-14-24-27-28-25(31)16(3)30(22)24/h5-8,11-12,15-17H,4,9-10,13-14H2,1-3H3,(H,28,31)/t15-,16+,17+/m0/s1
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n/an/a 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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028415
PNG
(CHEMBL3355132)
Show SMILES COc1cccc(c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C25H30N4O3/c1-15-13-28(3)9-8-19(15)21-11-22-23(12-20(21)17-6-5-7-18(10-17)31-4)32-14-24-26-27-25(30)16(2)29(22)24/h5-7,10-12,15-16,19H,8-9,13-14H2,1-4H3,(H,27,30)/t15-,16+,19+/m0/s1
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n/an/a 7n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028413
PNG
(CHEMBL3355130)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1C
Show InChI InChI=1S/C25H30N4O2/c1-15-7-5-6-8-18(15)21-12-23-22(11-20(21)19-9-10-28(4)13-16(19)2)29-17(3)25(30)27-26-24(29)14-31-23/h5-8,11-12,16-17,19H,9-10,13-14H2,1-4H3,(H,27,30)/t16-,17+,19+/m0/s1
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n/an/a 8n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50323351
PNG
(6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...)
Show SMILES CC(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O
Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


Bioorg Med Chem Lett 23: 5471-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.003
BindingDB Entry DOI: 10.7270/Q2R49S6F
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028416
PNG
(CHEMBL3355133)
Show SMILES COc1ccc(cc1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C25H30N4O3/c1-15-13-28(3)10-9-19(15)21-11-22-23(12-20(21)17-5-7-18(31-4)8-6-17)32-14-24-26-27-25(30)16(2)29(22)24/h5-8,11-12,15-16,19H,9-10,13-14H2,1-4H3,(H,27,30)/t15-,16+,19+/m0/s1
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n/an/a 10n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50323353
PNG
(1-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo-4,5...)
Show SMILES C[C@H](N1Cc2cncn2C(CC(C)(C)O)S1(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3O3S/c1-12(13-4-6-14(18)7-5-13)21-10-15-9-19-11-20(15)16(25(21,23)24)8-17(2,3)22/h4-7,9,11-12,16,22H,8,10H2,1-3H3/t12-,16?/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


Bioorg Med Chem Lett 23: 5471-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.003
BindingDB Entry DOI: 10.7270/Q2R49S6F
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028410
PNG
(CHEMBL3355128)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)8-7-18(14)20-10-21-22(11-19(20)16-5-4-6-17(25)9-16)31-13-23-26-27-24(30)15(2)29(21)23/h4-6,9-11,14-15,18H,7-8,12-13H2,1-3H3,(H,27,30)/t14-,15+,18+/m0/s1
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n/an/a 14n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028434
PNG
(CHEMBL3355124)
Show SMILES C[C@@H]1CN(C)CC[C@@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15-,16+/m1/s1
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n/an/a 16n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028412
PNG
(CHEMBL3355129)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-18(14)20-10-21-22(11-19(20)16-4-6-17(25)7-5-16)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-15,18H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,18+/m0/s1
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n/an/a 19n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/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-/m1/s1
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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))
BDBM50028445
PNG
(CHEMBL3355112)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O
Show InChI InChI=1S/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-/m1/s1
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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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028414
PNG
(CHEMBL3355131)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1
Show InChI InChI=1S/C25H30N4O2/c1-15-5-7-18(8-6-15)20-12-23-22(11-21(20)19-9-10-28(4)13-16(19)2)29-17(3)25(30)27-26-24(29)14-31-23/h5-8,11-12,16-17,19H,9-10,13-14H2,1-4H3,(H,27,30)/t16-,17+,19+/m0/s1
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n/an/a 24n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028437
PNG
(CHEMBL3355121)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)[C@H]2CCN(C)C2)-c2ccccc2F)=NNC1=O
Show InChI InChI=1S/C22H23FN4O2/c1-13-22(28)25-24-21-12-29-20-10-17(15-5-3-4-6-18(15)23)16(9-19(20)27(13)21)14-7-8-26(2)11-14/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,25,28)/t13-,14+/m1/s1
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n/an/a 41n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028438
PNG
(CHEMBL3355120)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)C2)-c2ccccc2F)=NNC1=O
Show InChI InChI=1S/C22H23FN4O2/c1-13-22(28)25-24-21-12-29-20-10-17(15-5-3-4-6-18(15)23)16(9-19(20)27(13)21)14-7-8-26(2)11-14/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,25,28)/t13-,14?/m1/s1
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n/an/a 42n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028436
PNG
(CHEMBL3355122)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)CC2)-c2ccccc2F)=NNC1=O
Show InChI InChI=1S/C23H25FN4O2/c1-14-23(29)26-25-22-13-30-21-12-18(16-5-3-4-6-19(16)24)17(11-20(21)28(14)22)15-7-9-27(2)10-8-15/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,29)/t14-/m1/s1
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n/an/a 43n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
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
Show InChI InChI=1S/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-/m1/s1
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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
Show InChI InChI=1S/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-/m1/s1
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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))
BDBM50028440
PNG
(CHEMBL3355116)
Show SMILES CC1N2C(COc3cc(c(NC4(C)CN(C)C4)cc23)-c2ccccc2)=NNC1=O
Show InChI InChI=1S/C22H25N5O2/c1-14-21(28)25-24-20-11-29-19-9-16(15-7-5-4-6-8-15)17(10-18(19)27(14)20)23-22(2)12-26(3)13-22/h4-10,14,23H,11-13H2,1-3H3,(H,25,28)
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n/an/a 52n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
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
Show InChI InChI=1S/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-/m1/s1
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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))
BDBM50028446
PNG
(CHEMBL3355114)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CN(C)C4)cc23)C(F)(F)F)=NNC1=O
Show InChI InChI=1S/C17H20F3N5O2/c1-9-15(26)23-22-14-6-27-13-4-10(17(18,19)20)11(5-12(13)25(9)14)21-16(2)7-24(3)8-16/h4-5,9,21H,6-8H2,1-3H3,(H,23,26)/t9-/m1/s1
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n/an/a 57n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50028441
PNG
(CHEMBL3355113)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CNC2)C(F)(F)F)=NNC1=O
Show InChI InChI=1S/C17H20F3N5O2/c1-9-15(26)23-22-14-6-27-13-4-10(17(18,19)20)11(5-12(13)25(9)14)24(3)16(2)7-21-8-16/h4-5,9,21H,6-8H2,1-3H3,(H,23,26)/t9-/m1/s1
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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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50049442
PNG
(CHEMBL3356469)
Show SMILES CC1N2C(COc3cc(c(CC4CNC4)cc23)C(F)(F)F)=NNC1=O
Show InChI InChI=1S/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
Show InChI InChI=1S/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
Show InChI InChI=1S/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-/m1/s1
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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
Show InChI InChI=1S/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
Show InChI InChI=1S/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
Show InChI InChI=1S/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
Show InChI InChI=1S/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-/m1/s1
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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))
BDBM50028407
PNG
(CHEMBL3355139)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)[C@H]2CCN(C)CC2(C)C)-c2ccccc2F)=NNC1=O
Show InChI InChI=1S/C25H29FN4O2/c1-15-24(31)28-27-23-13-32-22-12-17(16-7-5-6-8-20(16)26)18(11-21(22)30(15)23)19-9-10-29(4)14-25(19,2)3/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3,(H,28,31)/t15-,19-/m1/s1
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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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
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
Show InChI InChI=1S/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
Show InChI InChI=1S/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))
BDBM50028418
PNG
(CHEMBL3355135)
Show SMILES COc1ccc(cc1OC)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C26H32N4O4/c1-15-13-29(3)9-8-18(15)20-11-21-23(34-14-25-27-28-26(31)16(2)30(21)25)12-19(20)17-6-7-22(32-4)24(10-17)33-5/h6-7,10-12,15-16,18H,8-9,13-14H2,1-5H3,(H,28,31)/t15-,16+,18+/m0/s1
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n/an/a 240n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50028423
PNG
(CHEMBL3355127)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,16+/m0/s1
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n/an/a 310n/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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
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
Show InChI InChI=1S/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-/m0/s1
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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 delta type


(Homo sapiens (human))
BDBM50049439
PNG
(CHEMBL3356472)
Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O
Show InChI InChI=1S/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-/m1/s1
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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
Show InChI InChI=1S/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-/m0/s1
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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 alpha type


(Homo sapiens (human))
BDBM50028422
PNG
(CHEMBL3355138)
Show SMILES COc1ccc(c(F)c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C25H29FN4O3/c1-14-12-29(3)8-7-17(14)19-10-22-23(33-13-24-27-28-25(31)15(2)30(22)24)11-20(19)18-6-5-16(32-4)9-21(18)26/h5-6,9-11,14-15,17H,7-8,12-13H2,1-4H3,(H,28,31)/t14-,15+,17+/m0/s1
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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: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
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
Show InChI InChI=1S/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-/m1/s1
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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
Show InChI InChI=1S/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-/m1/s1
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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
Show InChI InChI=1S/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-/m1/s1
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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
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